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Substance Name: 2-(Diethylamino)acetonitrile
RN: 3010-02-4
UNII: 468YW0H2FA
InChIKey: LVPZSMIBSMMLPI-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C6-H12-N2

Molecular Weight

  • 112.175
 
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Names and Synonyms

Name of Substance

  • 2-(Diethylamino)acetonitrile

Synonyms

  • 4-04-00-02378 (Beilstein Handbook Reference)
  • BRN 0969468
  • Diethylaminoacetonitrile
  • EINECS 221-130-6
  • Glycinonitrile, N,N-diethyl-
  • N,N-Diethylaminoacetonitrile
  • Nitril kiseliny diethylaminooctove
  • Nitril kiseliny diethylaminooctove [Czech]
  • NSC 15878
  • UNII-468YW0H2FA

Systematic Names

  • (Diethylamino)acetonitrile
  • Acetonitrile, (diethylamino)-
  • Acetonitrile, 2-(diethylamino)-

Registry Numbers

CAS Registry Number

  • 3010-02-4

FDA UNII

  • 468YW0H2FA

System Generated Number

  • 0003010024

Structure Descriptors

InChI

1S/C6H12N2/c1-3-8(4-2)6-5-7/h3-4,6H2,1-2H3

InChIKey

LVPZSMIBSMMLPI-UHFFFAOYSA-N

Smiles

N#CCN(CC)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 360uL/kg (0.36mL/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.
rat LCLo inhalation 125ppm/4H (125ppm)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.
rat LD50 oral 160mg/kg (160mg/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 170 deg C   EXP
log P (octanol-water) 0.540 (none)   EST
Atmospheric OH Rate Constant 1.94E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.