ChemSpider 2D Image | (4S)-4-(Hydroxymethyl)-1-methyl-L-proline | C7H13NO3

(4S)-4-(Hydroxymethyl)-1-methyl-L-proline

  • Molecular FormulaC7H13NO3
  • Average mass159.183 Da
  • Monoisotopic mass159.089539 Da
  • ChemSpider ID24534201
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(4S)-4-(Hydroxymethyl)-1-methyl-L-prolin [German] [ACD/IUPAC Name]
(4S)-4-(Hydroxymethyl)-1-methyl-L-proline [ACD/IUPAC Name]
(4S)-4-(Hydroxyméthyl)-1-méthyl-L-proline [French] [ACD/IUPAC Name]
L-Proline, 4-(hydroxymethyl)-1-methyl-, (4S)- [ACD/Index Name]
N-methyl cis-4-hydroxymethyl-L-proline

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 281.0±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 60.3±6.0 kJ/mol
Flash Point: 123.7±24.6 °C
Index of Refraction: 1.510
Molar Refractivity: 39.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.22
ACD/LogD (pH 5.5): -3.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 61 Å2
Polarizability: 15.5±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 130.6±3.0 cm3

Click to predict properties on the Chemicalize site






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