ChemSpider 2D Image | MFCD07779078 | C13H23N3O2

MFCD07779078

  • Molecular FormulaC13H23N3O2
  • Average mass253.341 Da
  • Monoisotopic mass253.179031 Da
  • ChemSpider ID37994829

More details:

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

1,1-Dimethylethyl 4-cyano-4-(dimethylamino)-1-piperidinecarboxylate
1-N-Boc-4-cyano-4-dimethylaminopiperidine
1-Piperidinecarboxylic acid, 4-cyano-4-(dimethylamino)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-cyano-4-(dimethylamino)-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-cyan-4-(dimethylamino)-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-Cyano-4-(diméthylamino)-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
849928-27-4 [RN]
MFCD07779078
N-(TERT-BUTOXYCARBONYL)-L-VALINE ETHYL ESTER
N-Boc-L-valine metyl ester
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 363.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.0±3.0 kJ/mol
Flash Point: 173.8±27.9 °C
Index of Refraction: 1.505
Molar Refractivity: 69.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.94
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 12.98
ACD/KOC (pH 5.5): 206.88
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 15.56
ACD/KOC (pH 7.4): 248.07
Polar Surface Area: 57 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 42.6±5.0 dyne/cm
Molar Volume: 235.4±5.0 cm3

Click to predict properties on the Chemicalize site


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