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Substance Name: beta,beta'-Iminodipropionitrile
RN: 111-94-4
UNII: 3XP1CVU865
InChIKey: SBAJRGRUGUQKAF-UHFFFAOYSA-N

Note

  • Lathyrogen; blocks axoplasmic transport of neurofilament proteins with subsequent axon swelling typical of some motor neuron diseases.

Molecular Formula

  • C6-H9-N3

Molecular Weight

  • 123.158
 

Classification Codes

  • Drug / Therapeutic Agent
  • Reproductive Effect
  • Skin / Eye Irritant
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Names and Synonyms

Name of Substance

  • 3,3'-Iminodipropionitrile
  • beta,beta'-Iminodipropionitrile

Synonyms

  • 2341 I.S.
  • 3,3'-Iminobis(propanenitrile)
  • 3,3'-Iminobispropanenitrile
  • 3,3'-Iminobispropionitrile
  • 3,3'-Iminodipropanenitrile
  • 3,3'-Iminodipropionitrile
  • 4-04-00-02561 (Beilstein Handbook Reference)
  • AI3-02147
  • BBCE
  • beta,beta'-Iminodipropionitrile
  • Bis(beta-cyanoethyl)amine
  • Bis-(2-cyanoethyl)amine
  • Bis-(2-kyanethyl)amin
  • Bis-(2-kyanethyl)amin [Czech]
  • Bis-(3-cyanoethyl)amine
  • BRN 1746455
  • CCRIS 4135
  • Di(2-cianoetil)ammina
  • Di(2-cianoetil)ammina [Italian]
  • Di-(2-cyanoethyl)amine
  • Diethylamine, 2,2'-dicyano-
  • EINECS 203-922-3
  • Ethanamine, 2-cyano-N-(2-cyanoethyl)-
  • HSDB 5539
  • IDPN
  • Imino-beta,beta'-dipropionitrile
  • Iminodipropanenitrile
  • Iminodiproprionitrile
  • N,N-Bis(2-cyanoethyl)amine
  • NSC 7770
  • Propanenitrile, 3,3'-iminobis-
  • Propionitrile, 3,3'-iminodi-
  • UNII-3XP1CVU865
  • USAF A-8564

Systematic Names

  • 3,3'-Iminobispropanenitrile
  • 3,3'-Iminodipropiononitrile
  • 3,3'-Iminodiproprionitrile
  • Propanenitrile, 3,3'-iminobis-
  • Propionitrile, 3,3'-iminodi-

Registry Numbers

CAS Registry Number

  • 111-94-4

FDA UNII

  • 3XP1CVU865

System Generated Number

  • 0000111944

Structure Descriptors

InChI

1S/C6H9N3/c7-3-1-5-9-6-2-4-8/h9H,1-2,5-6H2

InChIKey

SBAJRGRUGUQKAF-UHFFFAOYSA-N

Smiles

N(CCC#N)CCC#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD skin > 10mL/kg (10mL/kg)   National Technical Information Service. Vol. OTS0522881,
mouse LCLo inhalation 300ug/m3/6H (0.3mg/m3) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
National Technical Information Service. Vol. OTS0555367,
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   National Technical Information Service. Vol. AD277-689,
mouse LD50 oral > 3200mg/kg (3200mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
National Technical Information Service. Vol. OTS0555367,
rabbit LD50 skin 2520uL/kg (2.52mL/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat LCLo inhalation 4000ppm/1H (4000ppm)   National Technical Information Service. Vol. OTS0522881,
rat LD subcutaneous > 2600mg/kg (2600mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 122, Pg. 94, 1959.
rat LD50 oral 2700mg/kg (2700mg/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 60, 1949.

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 5.26 (none) 25 EXP
log P (octanol-water) -1.34E+00 (none)   EXP
Water Solubility 1.00E+06 mg/L 25 EST
Vapor Pressure 3.61E-03 mm Hg 25 EST
Henry's Law Constant 5.05E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.52E-12 cm3/molecule-sec 25 EST

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