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Substance Name: 1,2-Butanediol 1-nitrate
RN: 147794-11-4
InChIKey: KNUQGVIXAYDSOX-UHFFFAOYSA-N

Molecular Formula

  • C4-H9-N-O4

Molecular Weight

  • 135.118
 
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Names and Synonyms

Synonym

  • 2-Hydroxybutyl nitrate

Systematic Name

  • 1,2-Butanediol 1-nitrate

Registry Numbers

CAS Registry Number

  • 147794-11-4

System Generated Number

  • 0147794114

Structure Descriptors

InChI

1S/C4H9NO4/c1-2-4(6)3-9-5(7)8/h4,6H,2-3H2,1H3

InChIKey

KNUQGVIXAYDSOX-UHFFFAOYSA-N

Smiles

[N+](OC[C@@H](O)CC)([O-])=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.690 (none)   EST
Water Solubility 2.25E+04 mg/L 25 EST
Vapor Pressure 0.101 mm Hg 25 EST
Henry's Law Constant 1.72E-07 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 3.53E-12 cm3/molecule-sec 25 EST

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