ChemSpider 2D Image | AL9450000 | C4H8N2

AL9450000

  • Molecular FormulaC4H8N2
  • Average mass84.120 Da
  • Monoisotopic mass84.068748 Da
  • ChemSpider ID21171402

More details:

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

(Dimethylamino)acetonitril [German] [ACD/IUPAC Name]
(Dimethylamino)acetonitrile [ACD/IUPAC Name]
(Diméthylamino)acétonitrile [French] [ACD/IUPAC Name]
213-140-4 [EINECS]
926-64-7 [RN]
Acetonitrile, 2-(dimethylamino)- [ACD/Index Name]
AL9450000
dimethylaminoacetonitrile
Dimethylcyanocacetamide
MFCD00001890 [MDL number]
More...

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

228540_ALDRICH [DBID]
AI3-22163 [DBID]
BRN 1735677 [DBID]
NSC 148364 [DBID]
NSC148364 [DBID]
UN2378 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      10-25-27-36 Alfa Aesar B25085
      23-26-28-36/37-45 Alfa Aesar B25085
      3 Alfa Aesar B25085
      Danger Alfa Aesar B25085
      DANGER: FLAMMABLE, POISON, severe irritant Alfa Aesar B25085
      DANGER: POISON, FLAMMABLE, causes CNS injury Alfa Aesar B25085
      H300-H310-H226-H319 Alfa Aesar B25085
      P260-P280h-P305+P351+P338-P309-P310-P302+P352 Alfa Aesar B25085
  • Gas Chromatography

    • Retention Index (Kovats):

      713 (estimated with error: 83) NIST Spectra mainlib_236946, replib_63701

    • Retention Index (Normal Alkane):

      712 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.25 mm; Column length: 60 m; Column type: Capillary; CAS no: 926647; Active phase: DB-1; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Kawai, T.; Ishida, Y.; Kakiuchi, H.; Ikeda, N.; Higashida, T.; Nakamura, S., Flavor components of dried squid, J. Agric. Food Chem., 39(4), 1991, 770-777.) NIST Spectra nist ri
      714 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.25 mm; Column length: 60 m; Column type: Capillary; CAS no: 926647; Active phase: DB-1; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Kawai, T.; Ishida, Y.; Kakiuchi, H.; Ikeda, N.; Higashida, T.; Nakamura, S., Flavor components of dried squid, J. Agric. Food Chem., 39(4), 1991, 770-777.) NIST Spectra nist ri

    • Retention Index (Linear):

      1243 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column diameter: 0.25 mm; Column length: 60 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 35 C; End T: 195 C; End time: 90 min; Start time: 5 min; CAS no: 926647; Active phase: Supelcowax-10; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Chung, H.Y.; Yung, I.K.S.; Kim, J.-S., Comparison of volatile components in dried scallops (Chlamys farreri and Patinopecten yessoensis) prepared by boiling and steaming methods, J. Agric. Food Chem., 49, 2001, 192-202., Program type: Ramp; Column cl... (show more) ass: Standard polar; Column diameter: 0.25 mm; Column length: 60 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 35 C; End T: 195 C; End time: 90 min; Start time: 5 min; CAS no: 926647; Active phase: Supelcowax-10; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Chung, H.-Y.; Yung, I.K.S.; Ma, W.C.J.; Kim, J.-S., Analysis of volatile components in frozen and dried scallops (Patinopecten yessoensis) by gas chromatography/mass spectrometry, Food Res. Int., 35, 2002, 43-53.) NIST Spectra nist ri
      1244 (Program type: Ramp; Column cl... (show more) ass: Standard polar; Column diameter: 0.25 mm; Column length: 60 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 35 C; End T: 195 C; End time: 90 min; Start time: 5 min; CAS no: 926647; Active phase: Supelcowax-10; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Chung, H.Y., Volatile components in crabmeats of Charybdis feriatus, J. Agric. Food Chem., 47, 1999, 2280-2287.) NIST Spectra nist ri

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 137.5±0.0 °C at 760 mmHg
Vapour Pressure: 7.0±0.2 mmHg at 25°C
Enthalpy of Vaporization: 37.5±3.0 kJ/mol
Flash Point: 33.0±9.1 °C
Index of Refraction: 1.422
Molar Refractivity: 24.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.46
ACD/LogD (pH 5.5): -0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.52
ACD/LogD (pH 7.4): -0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.12
Polar Surface Area: 27 Å2
Polarizability: 9.6±0.5 10-24cm3
Surface Tension: 31.4±3.0 dyne/cm
Molar Volume: 95.2±3.0 cm3

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