ChemSpider 2D Image | methylamine | CH5N

methylamine

  • Molecular FormulaCH5N
  • Average mass31.057 Da
  • Monoisotopic mass31.042198 Da
  • ChemSpider ID6089

More details:






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

74-89-5 [RN]
MeNH2 [Formula]
Methanamin [German] [ACD/IUPAC Name]
Methanamine [ACD/IUPAC Name]
Méthanamine [French] [ACD/IUPAC Name]
methyl amine
methyl ammonia
methylamine [Wiki]
Methylaminen [Dutch]
Metilamine [Italian]
More...

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

295531_ALDRICH [DBID]
395048_ALDRICH [DBID]
395056_SIAL [DBID]
426466_SIAL [DBID]
524603_ALDRICH [DBID]
524611_ALDRICH [DBID]
524638_ALDRICH [DBID]
534102_ALDRICH [DBID]
AI3-15637-X [DBID]
C00218 [DBID]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Colorless gas with a fish- or ammonia-like odor. [Note: A liquid below 21F. Shipped as a liquefied compressed gas.] NIOSH PF6300000
      colourless gas (or solution in water or methanol) Oxford University Chemical Safety Data (No longer updated) More details
    • Stability:

      Stable. Highly flammable. Note wide explosion limits. Incompatible with oxidizing agents,acids, alkalies, alkaline earth metals, copper and its alloys,zinc and its alloys. Oxford University Chemical Safety Data (No longer updated) More details
    • Toxicity:

      ORL-RAT LD50 100 mg kg-1 Oxford University Chemical Safety Data (No longer updated) More details
    • Safety:

      11-23/24/25-37/38-39/23/24/25-41 Alfa Aesar H26889, H27664
      12-19-20-37/38-40-41 Alfa Aesar H26889, H27664
      12-20/22-34 Alfa Aesar L00894
      3 Alfa Aesar H26889, H27664, L00894
      3/7-4-9-16-20-23-26-27-36/37/39-45-60 Alfa Aesar H26889, H27664
      3-16-26-29-36/37/39-45 Alfa Aesar L00894
      3-9-16-23-26-33-36/37/39-60 Alfa Aesar H26889, H27664
      Danger Alfa Aesar H26889, H27664, L00894
      DANGER: CORROSIVE, burns skin, eyes, and lungs Alfa Aesar L00894
      H225-H311-H331-H370-H335-H318-H315 Alfa Aesar H26889, H27664
      H225-H318-H332-H335-H315 Alfa Aesar L00894
      H225-H318-H351-H335-H315-EUH019 Alfa Aesar H26889, H27664
      HIGHLY FLAMMABLE / HARMFUL / IRRITANT Alfa Aesar L00894
      P210-P261-P303+P361+P353-P305+P351+P338-P405-P501a Alfa Aesar H26889, H27664, L00894
      P210-P303+P361+P353-P305+P351+P338-P361-P405-P501a Alfa Aesar H26889, H27664
      Safety glasses, good ventilation. Remove sources of ignitionfrom the working area. Oxford University Chemical Safety Data (No longer updated) More details
    • First-Aid:

      Eye: Irrigate immediately (solution)/Frostbite Skin: Water flush immediately (solution)/Frostbite Breathing: Respiratory support Swallow: Medical attention immediately (solution) NIOSH PF6300000
    • Exposure Routes:

      inhalation, skin absorption (solution), ingestion (solution), skin and/or eye contact (solution/liquid) NIOSH PF6300000
    • Symptoms:

      Irritation eyes, skin, respiratory system; cough; skin, mucous membrane burns; dermatitis; conjunctivitis; liquid: frostbite NIOSH PF6300000
    • Target Organs:

      Eyes, skin, respiratory system NIOSH PF6300000
    • Incompatibility:

      Mercury, strong oxidizers, nitromethane [Note: Corrosive to copper & zinc alloys, aluminum & galvanized surfaces.] NIOSH PF6300000
    • Personal Protection:

      Skin: Prevent skin contact (solution)/Frostbite Eyes: Prevent eye contact (solution)/Frostbite Wash skin: When contaminated (solution) Remove: When wet (flammable) Change: No recommendation Provide: F rostbite wash NIOSH PF6300000
    • Exposure Limits:

      NIOSH REL : TWA 10 ppm (12 mg/m 3 ) OSHA PEL : TWA 10 ppm (12 mg/m 3 ) NIOSH PF6300000
  • Gas Chromatography
    • Retention Index (Kovats):

      305 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 3 m; Column type: Packed; Start T: 180 C; CAS no: 74895; Active phase: PMS-100; 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):

      380 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 74895; 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
      328 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 74895; Active phase: Polydimethyl siloxanes; Data type: Normal alkane RI; Authors: Zenkevich, I.G.; Chupalov, A.A., New Possibilities of Chromato Mass Pectrometric Identification of Organic Compounds Using Increments of Gas Chromatographic Retention Indices of Molecular Structural Fragments, Zh. Org. Khim. (Rus.), 32(5), 1996, 656-666, In original 656-666.) 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: -21.1±3.0 °C at 760 mmHg
Vapour Pressure: 3965.3±0.0 mmHg at 25°C
Enthalpy of Vaporization: 25.6±0.0 kJ/mol
Flash Point: -65.9±13.1 °C
Index of Refraction: 1.340
Molar Refractivity: 10.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.66
ACD/LogD (pH 5.5): -3.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 26 Å2
Polarizability: 4.1±0.5 10-24cm3
Surface Tension: 18.5±3.0 dyne/cm
Molar Volume: 48.7±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) =  -0.64
    Log Kow (Exper. database match) =  -0.57
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  10.16  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -98.30  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.3E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -93.4 deg C
    BP  (exp database):  -6.3 deg C
    VP  (exp database):  2.65E+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: -0.57 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1.08e+006 mg/L (25 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) =  1080000.00
       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 :   7.58E-006  atm-m3/mole
   Group Method:   7.22E-006  atm-m3/mole
   Exper Database: 1.11E-05  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  3.106E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -0.57  (exp database)
  Log Kaw used:  -3.343  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  2.773
      Log Koa (experimental database):  1.900

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8866
   Biowin2 (Non-Linear Model)     :   0.9753
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1550  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8462  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6534
   Biowin6 (MITI Non-Linear Model):   0.7964
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.9338
 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):  3.53E+005 Pa (2.65E+003 mm Hg)
  Log Koa (Exp database): 1.900
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.49E-012 
       Octanol/air (Koa) model:  1.95E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.07E-010 
       Mackay model           :  6.79E-010 
       Octanol/air (Koa) model:  1.56E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  22.2648 E-12 cm3/molecule-sec
      Half-Life =     0.480 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     5.765 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 4.93E-010 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  10.74
      Log Koc:  1.031 

 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: -0.57 (expkow database)

 Volatilization from Water:
    Henry LC:  1.11E-005 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      29.96  hours   (1.249 days)
    Half-Life from Model Lake :      373.6  hours   (15.57 days)

 Removal In Wastewater Treatment:
    Total removal:               2.46  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.75  percent
    Total to Air:                0.62  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.78            11.7         1000       
   Water     48.3            360          1000       
   Soil      49.9            720          1000       
   Sediment  0.0885          3.24e+003    0          
     Persistence Time: 319 hr




                    

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