ChemSpider 2D Image | (S)-tert-Butyl 3-bromopyrrolidine-1-carboxylate | C9H16BrNO2

(S)-tert-Butyl 3-bromopyrrolidine-1-carboxylate

  • Molecular FormulaC9H16BrNO2
  • Average mass250.133 Da
  • Monoisotopic mass249.036438 Da
  • ChemSpider ID26943915

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-Bromo-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
(S)-tert-Butyl 3-bromopyrrolidine-1-carboxylate
1-Pyrrolidinecarboxylic acid, 3-bromo-, 1,1-dimethylethyl ester, (3S)- [ACD/Index Name]
2-Methyl-2-propanyl (3S)-3-bromo-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3S)-3-brom-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
569660-89-5 [RN]
(s)-(+)-1-boc-3-bromopyrrolidine
(S)-1-Boc-3-Bromopyrrolidine
(S)-3-Bromopyrrolidine-1-carboxylic acid tert-butyl ester
(S)-3-Bromo-pyrrolidine-1-carboxylic acid tert-butyl ester
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.4±0.1 g/cm3
Boiling Point: 277.5±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.6±3.0 kJ/mol
Flash Point: 121.6±25.4 °C
Index of Refraction: 1.514
Molar Refractivity: 54.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.64
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 44.34
ACD/KOC (pH 5.5): 525.25
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 44.34
ACD/KOC (pH 7.4): 525.25
Polar Surface Area: 30 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 181.3±3.0 cm3

Click to predict properties on the Chemicalize site


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