ChemSpider 2D Image | 2-Methyl-2-propanyl [(3S)-3,4-diamino-4-oxobutyl]carbamate | C9H19N3O3

2-Methyl-2-propanyl [(3S)-3,4-diamino-4-oxobutyl]carbamate

  • Molecular FormulaC9H19N3O3
  • Average mass217.266 Da
  • Monoisotopic mass217.142639 Da
  • ChemSpider ID24206310

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(3S)-3,4-Diamino-4-oxobutyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(3S)-3,4-diamino-4-oxobutyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(3S)-3,4-diamino-4-oxobutyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(3S)-3,4-diamino-4-oxobutyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
(S)-tert-butyl (3,4-diamino-4-oxobutyl)carbamate
244185-30-6 [RN]
Carbamic acid, [(3S)-3,4-diamino-4-oxobutyl]-, 1,1-dimethylethyl ester (9CI)
TERT-BUTYL N-[(3S)-3-AMINO-3-CARBAMOYLPROPYL]CARBAMATE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 408.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.1±3.0 kJ/mol
Flash Point: 201.0±27.3 °C
Index of Refraction: 1.490
Molar Refractivity: 56.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.20
ACD/LogD (pH 5.5): -1.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.07
Polar Surface Area: 107 Å2
Polarizability: 22.3±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 194.3±3.0 cm3

Click to predict properties on the Chemicalize site


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