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Substance Name: 4-Heptanamine
RN: 16751-59-0
InChIKey: CLJMMQGDJNYDER-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H17-N

Molecular Weight

  • 115.218
 
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Names and Synonyms

Synonyms

  • 1-Propylbutanamine
  • 1-Propylbutylamine
  • 4-04-00-00745 (Beilstein Handbook Reference)
  • 4-Aminoheptane
  • 4-Heptanamine
  • 4-Heptylamine
  • BRN 1697157
  • EINECS 240-814-5

Systematic Names

  • 1-Propylbutylamine
  • 4-Heptanamine
  • Butylamine, 1-propyl-

Registry Numbers

CAS Registry Number

  • 16751-59-0

System Generated Number

  • 0016751590

Structure Descriptors

InChI

1S/C7H17N/c1-3-5-7(8)6-4-2/h7H,3-6,8H2,1-2H3

InChIKey

CLJMMQGDJNYDER-UHFFFAOYSA-N

Smiles

NC(CCC)CCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 110mg/kg (110mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 30, Pg. 623, 1941.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 139.5 deg C   EXP
log P (octanol-water) 2.230 (none)   EST
Atmospheric OH Rate Constant 5.38E-11 cm3/molecule-sec 25 EST

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