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ChemSpider 2D Image | Dimethylamine | C2H7N

Dimethylamine

  • Molecular FormulaC2H7N
  • Average mass45.084 Da
  • Monoisotopic mass45.057850 Da
  • ChemSpider ID654

More details:



Featured data source



Validated by Experts, Validated by Users, Non-Validated, Removed by Users

124-40-3 [RN]
204-697-4 [EINECS]
Dimethylamine [Wiki]
DMA
Me2NH [Formula]
Methanamine, N-methyl- [ACD/Index Name]
MFCD00008288 [MDL number]
N,N-dimethylamine
N-Methylmethanamin [German] [ACD/IUPAC Name]
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

ARQ8157E0Q [DBID]
295280_ALDRICH [DBID]
388246_ALDRICH [DBID]
38931_FLUKA [DBID]
38950_FLUKA [DBID]
391956_ALDRICH [DBID]
426458_ALDRICH [DBID]
C00543 [DBID]
CCRIS 981 [DBID]
CHEBI:17170 [DBID]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Colorless gas with an ammonia- or fish-like odor. [Note: A liquid below 44F. Shipped as a liquefied compressed gas.] NIOSH IP8750000
      colourless gas with strong ammonia-like smell OU Chemical Safety Data (No longer updated) More details
    • Stability:

      Stable. Generally used as a solution in water at concentrationsup to around 40%. Extremely flammable in the pure form. Incompatible with strongoxidizing agents. OU Chemical Safety Data (No longer updated) More details
    • Toxicity:

      Organic Compound; Pesticide; Food Toxin; Metabolite; Dye; Uremic Toxin; Household Toxin; Natural Compound; Fungicide Toxin, Toxin-Target Database T3D4148
      ORL-RAT LD50 698 mg kg-1, ORL-GPG LD50 240 mg kg-1, IPR-MUS LD50 736 mg kg-1, ORL-RBT LD50 240 mg kg-1 OU Chemical Safety Data (No longer updated) More details
    • Safety:

      11-19-36/37 Alfa Aesar H27665
      11-20-37/38-41 Alfa Aesar 31458, 43261
      11-23/24/25-37/38-39/23/24/25-41 Alfa Aesar H27261
      3 Alfa Aesar 31458, 43261, H27261, H27665
      4-9-16-20-23-26-27-33-36/37/39-45-60 Alfa Aesar H27261
      9-16-23-26-33-39-60 Alfa Aesar H27665
      9-16-23-26-36/37/39 Alfa Aesar 31458, 43261
      Danger Alfa Aesar 31458, 43261, H27261, H27665
      DANGER: FLAMMABLE, CORROSIVE, burns skin and eyes Alfa Aesar 31458, 43261
      H225-H311-H331-H370-H314 Alfa Aesar H27261
      H225-H314-H351-H335-H336-EUH019 Alfa Aesar H27665
      H225-H331-H318-H302-H315-H335 Alfa Aesar 31458, 43261
      Highly Flammable/Corrosive/Hygroscopic SynQuest 3131-1-X3, 66318
      P210-P260-P303+P361+P353-P305+P351+P338-P405-P501a Alfa Aesar H27665
      P210-P261-P303+P361+P353-P305+P351+P338-P405-P501a Alfa Aesar 31458, 43261
      P210-P303+P361+P353-P305+P351+P338-P361-P405-P501a Alfa Aesar H27261
      Safety glasses, gloves, good ventilation. OU Chemical Safety Data (No longer updated) More details
    • First-Aid:

      Eye: Irrigate immediately (liquid)/Frostbite Skin: Water flush immediately (liquid)/Frostbite Breathing: Respiratory support NIOSH IP8750000
    • Exposure Routes:

      inhalation, skin and/or eye contact (liquid) NIOSH IP8750000
    • Symptoms:

      Irritation nose, throat; sneezing, cough, dyspnea (breathing difficulty); pulmonary edema; conjunctivitis; dermatitis; liquid: frostbite NIOSH IP8750000
    • Target Organs:

      Eyes, skin, respiratory system NIOSH IP8750000
    • Incompatibility:

      Strong oxidizers, chlorine, mercury, acraldehyde, fluorides, maleic anhydride, aluminum, brass, copper, zinc NIOSH IP8750000
    • Personal Protection:

      Skin: Prevent skin contact (liquid)/Frostbite Eyes: Prevent eye contact (liquid)/Frostbite Wash skin: When contaminated (liquid) Remove: When wet (flammable) Change: No recommendation Provide: Eyewash (liquid), Quick drench (liquid), Frostbite wash NIOSH IP8750000
    • Exposure Limits:

      NIOSH REL : TWA 10 ppm (18 mg/m 3 ) OSHA PEL : TWA 10 ppm (18 mg/m 3 ) NIOSH IP8750000
    • Chemical Class:

      A secondary aliphatic amine where both <element>N</element>-substituents are methyl. ChEBI CHEBI:17170
      A secondary aliphatic amine where both N-substituents are methyl. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:17170
  • Gas Chromatography
    • Retention Index (Kovats):

      419 (estimated with error: 83) NIST Spectra mainlib_291481, replib_158546, replib_229435
      405 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column length: 2.7 m; Column type: Packed; Start T: 100 C; CAS no: 124403; Active phase: Apiezon L; Carrier gas: N2; Substrate: Chromosorb GAW; Data type: Kovats RI; Authors: Golovnya, R.V.; Zhuravleva, N.L.; Svetlova, N.I.; Grigor'eva, D.N., Gas-chromatographic separation of secondary normal alphatic amines, J. Anal. Chem. USSR (Engl. Transl.), 35(10), 1980, 1280-1285, In original 1976-1981.) NIST Spectra nist ri
      434 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column type: Packed; Start T: 100 C; CAS no: 124403; Active phase: Apiezon L; Data type: Kovats RI; Authors: Golovnya, R.V.; Zhuravleva, I.L., Gas Chromatographic Method of Identification of n-Aliphatic Amines Through the Use of Donor-Acceptor Interaction with Phosphate, Chromatographia, 6(12), 1973, 508-513.) NIST Spectra nist ri
      458 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column length: 2.26 m; Column type: Packed; Start T: 130 C; CAS no: 124403; Active phase: Apiezon L; Substrate: Teflon-Haloport; Data type: Kovats RI; Authors: Landault, C.; Guiochon, G., Separation des amines par chromatographie gaz-liquide en utilisant le teflon comme support, J. Chromatogr., 13, 1964, 327-336.) NIST Spectra nist ri
      646 (Program type: Isothermal; Col... (show more) umn class: Standard polar; Column length: 3 m; Column type: Packed; Start T: 179 C; CAS no: 124403; Active phase: PEG-2000; Carrier gas: He; Substrate: Celite 545 (44-60 mesh); Data type: Kovats RI; Authors: Anderson, A.; Jurel, S.; Shymanska, M.; Golender, L., Gas-liquid chromatography of some aliphatic and heterocyclic mono- and pollyfunctional amines. VII. Retention indices of amines in some polar and unpolar stationary phases, Latv. PSR Zinat. Akad. Vestis Kim. Ser., , 1973, 51-63.) NIST Spectra nist ri
      650 (Program type: Isothermal; Col... (show more) umn class: Standard polar; Column length: 3 m; Column type: Packed; Start T: 152 C; CAS no: 124403; Active phase: PEG-2000; Carrier gas: He; Substrate: Celite 545 (44-60 mesh); Data type: Kovats RI; Authors: Anderson, A.; Jurel, S.; Shymanska, M.; Golender, L., Gas-liquid chromatography of some aliphatic and heterocyclic mono- and pollyfunctional amines. VII. Retention indices of amines in some polar and unpolar stationary phases, Latv. PSR Zinat. Akad. Vestis Kim. Ser., , 1973, 51-63.) NIST Spectra nist ri
    • Retention Index (Normal Alkane):

      434 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 124403; Active phase: Methyl Silicone; Data type: Normal alkane RI; Authors: Chen, Y.; Feng, C., QSPR study on gas chromatography retention index of some organic pollutants, Comput. Appl. Chem. (China), 24(10), 2007, 1404-1408.) NIST Spectra nist ri
      425 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.20 mm; Column length: 25 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 50 C; End T: 250 C; CAS no: 124403; Active phase: OV-101; Carrier gas: N2/He; Phase thickness: 0.10 um; Data type: Normal alkane RI; Authors: Zenkevich, I.G., Experimentally measured retention indices., 2005.) NIST Spectra nist ri
    • Retention Index (Linear):

      426 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 60 C; End T: 240 C; CAS no: 124403; Active phase: DB-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Flamini, G.; Luigi Cioni, P.; Morelli, I., Volatiles from leaves, fruits, and virgin oil from Olea europaea Cv. Olivastra Seggianese from Italy, J. Agric. Food Chem., 51, 2003, 1382-1386.) NIST Spectra nist ri

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.6±0.1 g/cm3
Boiling Point: 6.1±3.0 °C at 760 mmHg
Vapour Pressure: 1520.3±0.0 mmHg at 25°C
Enthalpy of Vaporization: 26.4±0.0 kJ/mol
Flash Point: -56.1±8.8 °C
Index of Refraction: 1.344
Molar Refractivity: 14.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.43
ACD/LogD (pH 5.5): -3.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 12 Å2
Polarizability: 5.9±0.5 10-24cm3
Surface Tension: 15.5±3.0 dyne/cm
Molar Volume: 70.4±3.0 cm3

Predicted data is generated using the US Environmental Protection Agency’s EPISuite™

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  -0.17
    Log Kow (Exper. database match) =  -0.38
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  16.06  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -106.24  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.47E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -92.2 deg C
    BP  (exp database):  6.8 deg C
    VP  (exp database):  1.52E+03 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1e+006
       log Kow used: -0.38 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1.63e+006 mg/L (40 deg C)
        Exper. Ref:  SCHWEIZER,AE ET AL. (1978)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L
    Wat Sol (Exper. database match) =  1630000.00
       Exper. Ref:  SCHWEIZER,AE ET AL. (1978)

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Aliphatic Amines

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.66E-005  atm-m3/mole
   Group Method:   1.81E-005  atm-m3/mole
   Exper Database: 1.77E-05  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  4.508E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -0.38  (exp database)
  Log Kaw used:  -3.140  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  2.760
      Log Koa (experimental database):  2.000

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8799
   Biowin2 (Non-Linear Model)     :   0.9701
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1240  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8260  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6121
   Biowin6 (MITI Non-Linear Model):   0.7268
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8542
 Ready Biodegradability Prediction:   YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  2.03E+005 Pa (1.52E+003 mm Hg)
  Log Koa (Exp database): 2.000
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.48E-011 
       Octanol/air (Koa) model:  2.45E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.35E-010 
       Mackay model           :  1.18E-009 
       Octanol/air (Koa) model:  1.96E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  65.5296 E-12 cm3/molecule-sec
      Half-Life =     0.163 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.959 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 8.59E-010 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  13.4
      Log Koc:  1.127 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.500 (BCF = 3.162)
       log Kow used: -0.38 (expkow database)

 Volatilization from Water:
    Henry LC:  1.77E-005 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      22.89  hours
    Half-Life from Model Lake :      306.1  hours   (12.75 days)

 Removal In Wastewater Treatment:
    Total removal:               2.81  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.74  percent
    Total to Air:                0.98  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.712           3.78         1000       
   Water     48.9            360          1000       
   Soil      50.3            720          1000       
   Sediment  0.0898          3.24e+003    0          
     Persistence Time: 304 hr




                    

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