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Substance Name: Heptanenitrile
RN: 629-08-3
UNII: UA4Z3QT98A
InChIKey: SDAXRHHPNYTELL-UHFFFAOYSA-N

Molecular Formula

  • C7-H13-N

Molecular Weight

  • 111.1867
 
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Names and Synonyms

Name of Substance

  • Heptanenitrile

Synonyms

  • 1-Cyanohexane
  • AI3-28301
  • EINECS 211-071-4
  • Enanthonitrile
  • Heptanenitrile
  • Heptanonitrile
  • Hexyl cyanide
  • NSC 2172
  • UNII-UA4Z3QT98A

Systematic Names

  • Heptane-1-nitrile
  • Heptanenitrile

Registry Numbers

CAS Registry Number

  • 629-08-3

FDA UNII

  • UA4Z3QT98A

Other Registry Numbers

  • 1885-40-1
  • 73833-76-8

System Generated Number

  • 0000629083

Structure Descriptors

InChI

1S/C7H13N/c1-2-3-4-5-6-7-8/h2-6H2,1H3

InChIKey

SDAXRHHPNYTELL-UHFFFAOYSA-N

Smiles

C(CCC#N)CCC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 183 deg C   EXP
log P (octanol-water) 2.310 (none)   EST
Water Solubility 624 mg/L 25 EST
Vapor Pressure 0.726 mm Hg 25 EST
Henry's Law Constant 1.26E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.50E-12 cm3/molecule-sec 25 EST

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