PLANNED MAINTENANCE

There will be scheduled maintenance work beginning on Wednesday 26th February 2020 from 11:00 AM through to 12.00 PM (GMT).

During this time, you may not be able to log into ChemSpider. We apologise for any inconvenience this might cause and thank you for your patience.


ChemSpider 2D Image | 2-Pyridylethylamine | C7H10N2

2-Pyridylethylamine

  • Molecular FormulaC7H10N2
  • Average mass122.168 Da
  • Monoisotopic mass122.084396 Da
  • ChemSpider ID68424

More details:






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

2-(2-Aminoethyl)pyridine
2-(2-Pyridinyl)ethanamin [German] [ACD/IUPAC Name]
2-(2-Pyridinyl)ethanamine [ACD/IUPAC Name]
2-(2-Pyridinyl)éthanamine [French] [ACD/IUPAC Name]
2-(2-Pyridyl)ethylamine
2-(pyridin-2-yl)ethanamine
2-(β-Aminoethyl)pyridine
220-295-1 [EINECS]
2706-56-1 [RN]
More...

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

ATW1AH7OJ5 [DBID]
A55306_ALDRICH [DBID]
BR-73075 [DBID]
CCRIS 4693 [DBID]
Lilly 04432 [DBID]
MLS000028902 [DBID]
NCGC00159581-01 [DBID]
NSC 71989 [DBID]
NSC71989 [DBID]
OR-1463 [DBID]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Colorless Liqiud Novochemy [NC-30219]
      Colorless liquid Novochemy [NC-30219]
    • Stability:

      6.1 ChemBridge 3020070
    • Safety:

      20/21/36/37/39 Novochemy [NC-30219]
      26-36/37/39-45 Alfa Aesar L05627
      34 Alfa Aesar L05627
      36/37/38 Novochemy [NC-30219]
      6.1 ChemBridge 3020070
      8 Alfa Aesar L05627
      AIR SENSITIVE, CORROSIVE Matrix Scientific 037478
      Corrosive/Air Sensitive/Store under Argon SynQuest 3H30-1-7M
      Danger Alfa Aesar L05627
      DANGER: CORROSIVE, burns skin and eyes Alfa Aesar L05627
      GHS02; GHS07; GHS09 Novochemy [NC-30219]
      H302, H315, H319, H335. ChemBridge 3020070
      H304; H332; H403 Novochemy [NC-30219]
      H314 Alfa Aesar L05627
      Irritant SynQuest 3H30-1-7M
      P280-P305+P351+P338-P309-P310 Alfa Aesar L05627
      P332+P313; P305+P351+P338 Novochemy [NC-30219]
      R22 Novochemy [NC-30219]
      Warning ChemBridge 3020070
      Warning Novochemy [NC-30219]
      Xi Abblis Chemicals AB1002312
    • Chemical Class:

      An aminoalkylpyridine that is pyridine substituted by a ethanamino group at position 2. ChEBI CHEBI:74024
  • Gas Chromatography
    • Retention Index (Kovats):

      1130 (estimated with error: 83) NIST Spectra mainlib_234719
    • Retention Index (Linear):

      1147 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.32 mm; Column length: 30 m; Column type: Capillary; Heat rate: 10 K/min; Start T: 60 C; End T: 280 C; End time: 3 min; Start time: 10 min; CAS no: 2706561; Active phase: DB-5; Carrier gas: He; Data type: Linear RI; Authors: Premecz, J.E.; Ford, M.E., Gas chromatographic separation of substituted pyridines, J. Chromatogr., 388, 1987, 23-35.) NIST Spectra nist ri
      1768 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column diameter: 0.24 mm; Column length: 15 m; Column type: Capillary; Heat rate: 5 K/min; Start T: 60 C; End T: 240 C; End time: 21 min; Start time: 5 min; CAS no: 2706561; Active phase: CAM; Carrier gas: He; Data type: Linear RI; Authors: Premecz, J.E.; Ford, M.E., Gas chromatographic separation of substituted pyridines, J. Chromatogr., 388, 1987, 23-35.) NIST Spectra nist ri

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

Density: 1.0±0.1 g/cm3
Boiling Point: 207.9±15.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.4±3.0 kJ/mol
Flash Point: 100.6±0.0 °C
Index of Refraction: 1.541
Molar Refractivity: 37.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.03
ACD/LogD (pH 5.5): -2.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 39 Å2
Polarizability: 14.8±0.5 10-24cm3
Surface Tension: 44.1±3.0 dyne/cm
Molar Volume: 119.2±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) =  0.02
    Log Kow (Exper. database match) =  0.08
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  212.96  (Adapted Stein & Brown method)
    Melting Pt (deg C):  32.70  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.148  (Modified Grain method)
    BP  (exp database):  131.5 @ 50 mm Hg deg C
    Subcooled liquid VP: 0.174 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1e+006
       log Kow used: 0.08 (expkow database)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.06E-009  atm-m3/mole
   Group Method:   2.62E-010  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  2.379E-008 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.08  (exp database)
  Log Kaw used:  -7.363  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.443
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7433
   Biowin2 (Non-Linear Model)     :   0.7896
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6646  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6275  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3751
   Biowin6 (MITI Non-Linear Model):   0.2768
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.1769
 Ready Biodegradability Prediction:   NO

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

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  23.2 Pa (0.174 mm Hg)
  Log Koa (Koawin est  ): 7.443
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.29E-007 
       Octanol/air (Koa) model:  6.81E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.67E-006 
       Mackay model           :  1.03E-005 
       Octanol/air (Koa) model:  0.000544 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  33.7522 E-12 cm3/molecule-sec
      Half-Life =     0.317 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.803 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 7.51E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  717.5
      Log Koc:  2.856 

 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: 0.08 (expkow database)

 Volatilization from Water:
    Henry LC:  2.62E-010 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:  2.47E+006  hours   (1.029E+005 days)
    Half-Life from Model Lake : 2.695E+007  hours   (1.123E+006 days)

 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.76  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.00361         7.61         1000       
   Water     45.7            900          1000       
   Soil      54.2            1.8e+003     1000       
   Sediment  0.0887          8.1e+003     0          
     Persistence Time: 979 hr




                    

Click to predict properties on the Chemicalize site






Advertisement