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Substance Name: 6-Aminohexanenitrile
RN: 2432-74-8
UNII: TGU4NDJ80Y
InChIKey: KBMSFJFLSXLIDJ-UHFFFAOYSA-N

Molecular Formula

  • C6-H12-N2

Molecular Weight

  • 112.175
 
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Names and Synonyms

Name of Substance

  • 6-Aminohexanenitrile

Synonyms

  • 6-Aminocapronitrile
  • 6-Aminohexanenitrile
  • 6-Aminohexanonitrile
  • EINECS 219-409-2
  • Hexanenitrile, 6-amino-
  • HSDB 5879
  • NSC 510
  • omega-Aminocapronitrile
  • UNII-TGU4NDJ80Y

Systematic Names

  • 6-Aminohexanonitrile
  • Hexanenitrile, 6-amino-

Registry Numbers

CAS Registry Number

  • 2432-74-8

FDA UNII

  • TGU4NDJ80Y

System Generated Number

  • 0002432748

Structure Descriptors

InChI

1S/C6H12N2/c7-5-3-1-2-4-6-8/h1-5,7H2

InChIKey

KBMSFJFLSXLIDJ-UHFFFAOYSA-N

Smiles

C(CCC#N)CCN

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LDLo skin 3160mg/kg (3160mg/kg) BEHAVIORAL: FOOD INTAKE (ANIMAL)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA
National Technical Information Service. Vol. OTS0545781,
rat LD50 oral 820mg/kg (820mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BLOOD: HEMORRHAGE
National Technical Information Service. Vol. OTS0545781,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -3.14E+01 deg C   EXP
Boiling Point 235.5 deg C   EXP
log P (octanol-water) 0.350 (none)   EST
Water Solubility 2.99E+05 mg/L 25 EST
Henry's Law Constant 9.76E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.49E-11 cm3/molecule-sec 25 EST

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