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Substance Name: beta-Phenyl-beta-alanine
RN: 614-19-7
InChIKey: UJOYFRCOTPUKAK-UHFFFAOYSA-N

Molecular Formula

  • C9-H11-N-O2

Molecular Weight

  • 165.191
 
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Names and Synonyms

Synonyms

  • AI3-52561
  • EINECS 210-371-2

Systematic Names

  • Benzenepropanoic acid, beta-amino-
  • beta-Phenyl-beta-alanine

Registry Numbers

CAS Registry Number

  • 614-19-7

System Generated Number

  • 0000614197

Structure Descriptors

InChI

1S/C9H11NO2/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)

InChIKey

UJOYFRCOTPUKAK-UHFFFAOYSA-N

Smiles

OC(=O)C[C@@H](c1ccccc1)N

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 222 dec deg C   EXP
log P (octanol-water) -1.40E+00 (none)   EXP
Water Solubility 8650 mg/L 25 EST
Vapor Pressure 4.65E-08 mm Hg 25 EST
Henry's Law Constant 6.04E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.92E-11 cm3/molecule-sec 25 EST

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