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Substance Name: 1-Nitropentane
RN: 628-05-7
InChIKey: BVALZCVRLDMXOQ-UHFFFAOYSA-N

Molecular Formula

  • C5-H11-N-O2

Molecular Weight

  • 117.1469
 
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Names and Synonyms

Synonyms

  • 1-Nitropentane
  • CCRIS 5042
  • EINECS 211-025-3
  • NSC 3645

Systematic Names

  • 1-Nitropentane
  • Pentane, 1-nitro- (8CI)(9CI)

Registry Numbers

CAS Registry Number

  • 628-05-7

System Generated Number

  • 0000628057

Structure Descriptors

InChI

1S/C5H11NO2/c1-2-3-4-5-6(7)8/h2-5H2,1H3

InChIKey

BVALZCVRLDMXOQ-UHFFFAOYSA-N

Smiles

CCCCC[N+](=O)[O-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 172.5 deg C   EXP
log P (octanol-water) 2.01 (none)   EXP
Water Solubility 1300 mg/L 25 EXP
Vapor Pressure 2.480 mm Hg 25 EST
Henry's Law Constant 1.31E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.20E-12 cm3/molecule-sec 25 EXP

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