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Substance Name: Cgp 11130
RN: 52237-19-1
InChIKey: QWHXHLDNSXLAPX-UHFFFAOYSA-N

Molecular Formula

  • C10-H12-F-N-O2

Molecular Weight

  • 197.208
 
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Names and Synonyms

Name of Substance

  • Cgp 11130

Synonyms

  • 4-Amino-3-(4-fluorophenyl)butyric acid
  • Cgp-11.130

Systematic Name

  • Benzenepropanoic acid, beta-(aminomethyl)-4-fluoro-

Registry Numbers

CAS Registry Number

  • 52237-19-1

System Generated Number

  • 0052237191

Structure Descriptors

InChI

1S/C10H12FNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)

InChIKey

QWHXHLDNSXLAPX-UHFFFAOYSA-N

Smiles

c1cc(F)ccc1[C@@H](CN)CC(=O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -1.60E+00 (none)   EXP
Water Solubility 8950 mg/L 25 EST
Vapor Pressure 1.62E-08 mm Hg 25 EST
Henry's Law Constant 9.36E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.89E-11 cm3/molecule-sec 25 EST

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