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Substance Name: 1-Propargyl-5-nitroimidazole
RN: 42307-14-2
InChIKey: CJMAFMGMMJFYCJ-UHFFFAOYSA-N

Molecular Formula

  • C6-H5-N3-O2

Molecular Weight

  • 151.1245
 
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Names and Synonyms

Name of Substance

  • 1-Propargyl-5-nitroimidazole

Systematic Name

  • 1H-Imidazole, 5-nitro-1-(2-propynyl)-

Registry Numbers

CAS Registry Number

  • 42307-14-2

System Generated Number

  • 0042307142

Structure Descriptors

InChI

1S/C6H5N3O2/c1-2-3-8-5-7-4-6(8)9(10)11/h1,4-5H,3H2

InChIKey

CJMAFMGMMJFYCJ-UHFFFAOYSA-N

Smiles

C#CCn1cncc1[N+](=O)[O-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.52 (none)   EXP
Water Solubility 1.10E+04 mg/L 25 EST
Vapor Pressure 1.23E-04 mm Hg 25 EST
Henry's Law Constant 6.90E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.24E-11 cm3/molecule-sec 25 EST

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