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Substance Name: Heptadecane
RN: 629-78-7
UNII: H7C0J39XUM
InChIKey: NDJKXXJCMXVBJW-UHFFFAOYSA-N

Molecular Formula

  • C17-H36

Molecular Weight

  • 240.471
 
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Names and Synonyms

Name of Substance

  • Heptadecane

Synonyms

  • 4-01-00-00548 (Beilstein Handbook Reference)
  • AI3-36898
  • BRN 1738898
  • EINECS 211-108-4
  • Heptadecane
  • HSDB 8347
  • n-Heptadecane
  • NSC 172782
  • UNII-H7C0J39XUM

Systematic Names

  • Heptadecane
  • n-Heptadecane

Superlist Name

  • Heptadecane

Registry Numbers

CAS Registry Number

  • 629-78-7

FDA UNII

  • H7C0J39XUM

System Generated Number

  • 0000629787

Structure Descriptors

InChI

1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3

InChIKey

NDJKXXJCMXVBJW-UHFFFAOYSA-N

Smiles

C(CCCCCCCC)CCCCCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intravenous 9821mg/kg (9821mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) Acta Pharmacologica et Toxicologica. Vol. 37, Pg. 56, 1975.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 22 deg C   EXP
Boiling Point 302 deg C   EXP
log P (octanol-water) 8.690 (none)   EST
Water Solubility 2.94E-04 mg/L 25 EST
Vapor Pressure 2.28E-04 mm Hg 25 EXP
Henry's Law Constant 38.5 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.10E-11 cm3/molecule-sec 25 EST

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