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Substance Name: 1-Heptanamine
RN: 111-68-2
InChIKey: WJYIASZWHGOTOU-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-Aminoheptane
  • 1-Heptylamine
  • 4-04-00-00734 (Beilstein Handbook Reference)
  • AI3-24038
  • BRN 1731688
  • EINECS 203-895-8
  • n-Heptylamine
  • NSC 2074

Systematic Names

  • 1-Heptanamine
  • Heptylamine

Superlist Names

  • 1-Heptanamine
  • Heptylamine

Registry Numbers

CAS Registry Number

  • 111-68-2

System Generated Number

  • 0000111682

Structure Descriptors

InChI

1S/C7H17N/c1-2-3-4-5-6-7-8/h2-8H2,1H3

InChIKey

WJYIASZWHGOTOU-UHFFFAOYSA-N

Smiles

C(CCCN)CCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 30, Pg. 623, 1941.
rat LDLo intraperitoneal 75mg/kg (75mg/kg)   Farmakologiya i Toksikologiya Vol. 31, Pg. 238, 1968.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.80E+01 deg C   EXP
Boiling Point 156 deg C   EXP
pKa Dissociation Constant 10.66 (none) 25 EXP
log P (octanol-water) 2.57 (none)   EXP
Water Solubility 6790 mg/L 25 EST
Vapor Pressure 2.74 mm Hg 25 EXP
Henry's Law Constant 4.15E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.87E-11 cm3/molecule-sec 25 EST

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