ChemSpider 2D Image | MFCD18782988 | C10H13NO2

MFCD18782988

  • Molecular FormulaC10H13NO2
  • Average mass179.216 Da
  • Monoisotopic mass179.094635 Da
  • ChemSpider ID25940740

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S)-3-Amino-2-(4-methylphenyl)propanoic acid [ACD/IUPAC Name]
(2S)-3-Amino-2-(4-methylphenyl)propansäure [German] [ACD/IUPAC Name]
(S)-3-Amino-3-(4-methylphenyl)-propionicacid
479065-00-4 [RN]
Acide (2S)-3-amino-2-(4-méthylphényl)propanoïque [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-(aminomethyl)-4-methyl-, (αS)- [ACD/Index Name]
MFCD18782988
(R)-3-Amino-2-p-tolyl-propionic acid
(S)-3-(p-methylphenyl)-β-alanine
(S)-3-Amino-2-p-tolyl-propionic acid
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 324.4±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 59.8±3.0 kJ/mol
Flash Point: 150.0±24.6 °C
Index of Refraction: 1.567
Molar Refractivity: 50.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.41
ACD/LogD (pH 5.5): -0.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 20.0±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 154.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement