ChemSpider 2D Image | 4-METHYL-PYRROLINE-5-CARBOXYLIC ACID | C6H9NO2

4-METHYL-PYRROLINE-5-CARBOXYLIC ACID

  • Molecular FormulaC6H9NO2
  • Average mass127.141 Da
  • Monoisotopic mass127.063332 Da
  • ChemSpider ID26330146

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-3-Methyl-2,3-dihydro-1H-pyrrol-2-carbonsäure [German] [ACD/IUPAC Name]
(2S,3S)-3-Methyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid [ACD/IUPAC Name]
1H-Pyrrole-2-carboxylic acid, 2,3-dihydro-3-methyl-, (2S,3S)- [ACD/Index Name]
4-METHYL-PYRROLINE-5-CARBOXYLIC ACID
Acide (2S,3S)-3-méthyl-2,3-dihydro-1H-pyrrole-2-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 299.2±39.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 59.3±6.0 kJ/mol
Flash Point: 134.7±27.1 °C
Index of Refraction: 1.496
Molar Refractivity: 32.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.56
ACD/LogD (pH 5.5): -2.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 49 Å2
Polarizability: 12.8±0.5 10-24cm3
Surface Tension: 38.5±3.0 dyne/cm
Molar Volume: 110.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement