ChemSpider 2D Image | (S)-N-Z-3-Pyrrolidinol | C12H15NO3

(S)-N-Z-3-Pyrrolidinol

  • Molecular FormulaC12H15NO3
  • Average mass221.252 Da
  • Monoisotopic mass221.105194 Da
  • ChemSpider ID21108216
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3S)-3-Hydroxy-1-pyrrolidinecarboxylate de benzyle [French] [ACD/IUPAC Name]
(3S)-3-Hydroxypyrrolidine-1-carboxylate de benzyle
(S)-(+)-1-Cbz-3-pyrrolidinol
(S)-1-Benzyloxycarbonyl-3-pyrrolidinol
(S)-1-Carbobenzoxy-3-pyrrolidinol
(S)-N-Z-3-Pyrrolidinol
100858-32-0 [RN]
1-Pyrrolidinecarboxylic acid, 3-hydroxy-, phenylmethyl ester, (3S)- [ACD/Index Name]
Benzyl (3S)-3-hydroxy-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
Benzyl (3S)-3-hydroxypyrrolidine-1-carboxylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

654663_ALDRICH [DBID]
CCRIS 4693 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 370.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.2±3.0 kJ/mol
Flash Point: 178.0±27.9 °C
Index of Refraction: 1.589
Molar Refractivity: 59.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.54
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 8.39
ACD/KOC (pH 5.5): 159.58
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 8.39
ACD/KOC (pH 7.4): 159.58
Polar Surface Area: 50 Å2
Polarizability: 23.4±0.5 10-24cm3
Surface Tension: 57.1±3.0 dyne/cm
Molar Volume: 175.1±3.0 cm3

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