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Substance Name: 3-(Dimethylamino)-propanenitrile
RN: 1738-25-6
UNII: 4LX1Y87099
InChIKey: MTPJEFOSTIKRSS-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C5-H10-N2

Molecular Weight

  • 98.148
 
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Names and Synonyms

Name of Substance

  • 3-(Dimethylamino)-propanenitrile
  • Dimethylaminopropionitrile

Synonyms

  • 3-(Dimethylamino)propanenitrile
  • 3-(Dimethylamino)propionitrile
  • 3-(N,N-Dimethylamino)propionitrile
  • 3-Dimethylaminopropannitril
  • 3-Dimethylaminopropannitril [Czech]
  • 4-04-00-02533 (Beilstein Handbook Reference)
  • AI3-25451
  • beta-(N-Dimethylamino)propionitrile
  • beta-Dimethylaminopropionitrile
  • BRN 0773779
  • Dimethylaminopropionitrile
  • Dmapn
  • EC 217-090-4
  • EINECS 217-090-4
  • HSDB 5029
  • N,N-(Dimethylamino)-3-propionitrile
  • NSC 232
  • Propanenitrile, 3-(dimethylamino)-
  • Propionitrile, 3-(dimethylamino)-
  • UNII-4LX1Y87099

Systematic Names

  • 3-Dimethylaminopropiononitrile
  • Propanenitrile, 3-(dimethylamino)-
  • Propionitrile, 3-(dimethylamino)-

Superlist Names

  • Dimethylaminopropionitrile
  • Propionitrile, 3-(dimethylamino)-

Registry Numbers

CAS Registry Number

  • 1738-25-6

FDA UNII

  • 4LX1Y87099

System Generated Number

  • 0001738256

Structure Descriptors

InChI

1S/C5H10N2/c1-7(2)5-3-4-6/h3,5H2,1-2H3

InChIKey

MTPJEFOSTIKRSS-UHFFFAOYSA-N

Smiles

C(N(C)C)CC#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00201,
mouse LD50 oral 1500mg/kg (1500mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 923, 1986.
rabbit LD50 skin 1410uL/kg (1.41mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LD50 oral 2600uL/kg (2.6mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 173 deg C   EXP
log P (octanol-water) -0.450 (none)   EST
Atmospheric OH Rate Constant 3.79E-12 cm3/molecule-sec 25 EST

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