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Substance Name: n-Pentadecane
RN: 629-62-9
UNII: 16H6K2S8M2
InChIKey: YCOZIPAWZNQLMR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H32

Molecular Weight

  • 212.418
 
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Names and Synonyms

Name of Substance

  • n-Pentadecane
  • Pentadecane

Synonyms

  • 4-01-00-00529 (Beilstein Handbook Reference)
  • BRN 1698194
  • EC 211-098-1
  • EINECS 211-098-1
  • HSDB 5729
  • n-Pentadecane
  • NSC 172781
  • Pentadecane
  • UNII-16H6K2S8M2

Systematic Name

  • Pentadecane

Superlist Name

  • Pentadecane

Registry Numbers

CAS Registry Number

  • 629-62-9

FDA UNII

  • 16H6K2S8M2

System Generated Number

  • 0000629629

Structure Descriptors

InChI

1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3

InChIKey

YCOZIPAWZNQLMR-UHFFFAOYSA-N

Smiles

C(CCCCCCC)CCCCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 3494mg/kg (3494mg/kg)   Journal of Pharmaceutical Sciences. Vol. 67, Pg. 566, 1978.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 9.9 deg C   EXP
Boiling Point 270.6 deg C   EXP
log P (octanol-water) 7.710 (none)   EST
Water Solubility 7.60E-05 mg/L 25 EXP
Vapor Pressure 0.00343 mm Hg 25 EXP
Henry's Law Constant 12.6 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.22E-11 cm3/molecule-sec 25 EXP

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