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Substance Name: 1H-Benzimidazol-5-amine, 2-(4-aminophenyl)-
RN: 103748-25-0
UNII: 1XKW2888RV
InChIKey: QZDYOBDSZXQLIW-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C8-H8-Cl-N3

Molecular Weight

  • 181.6252
 
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Names and Synonyms

Name of Substance

  • 1H-Benzimidazol-5-amine, 2-(4-aminophenyl)-

Synonyms

  • 5-Chloro-1-methyl-1H-benzimidazol-2-amine
  • 5-Chloro-1-methyl-2-aminobenzimidazole
  • BRN 4994795
  • CCRIS 4362
  • UNII-1XKW2888RV

Systematic Names

  • 1H-Benzimidazol-2-amine, 5-chloro-1-methyl-
  • 5-Chloro-1-methyl-2-aminobenzimidazole

Registry Numbers

CAS Registry Number

  • 103748-25-0

FDA UNII

  • 1XKW2888RV

System Generated Number

  • 0103748250

Structure Descriptors

InChI

1S/C8H8ClN3/c1-12-7-3-2-5(9)4-6(7)11-8(12)10/h2-4H,1H3,(H2,10,11)

InChIKey

QZDYOBDSZXQLIW-UHFFFAOYSA-N

Smiles

Cn1c2ccc(cc2nc1N)Cl

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.09 (none)   EXP
Water Solubility 887 mg/L 25 EST
Vapor Pressure 4.15E-06 mm Hg 25 EST
Henry's Law Constant 2.05E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.55E-10 cm3/molecule-sec 25 EST

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