ChemSpider 2D Image | 1,1-Dimethylethyl N-(3-bromo-2-propyn-1-yl)carbamate | C8H12BrNO2

1,1-Dimethylethyl N-(3-bromo-2-propyn-1-yl)carbamate

  • Molecular FormulaC8H12BrNO2
  • Average mass234.090 Da
  • Monoisotopic mass233.005127 Da
  • ChemSpider ID57319316

More details:

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

1,1-Dimethylethyl N-(3-bromo-2-propyn-1-yl)carbamate
1160357-42-5 [RN]
2-Methyl-2-propanyl hydrogen (3-bromo-2-propyn-1-yl)carbonimidate [ACD/IUPAC Name]
2-Methyl-2-propanyl-hydrogen(3-brom-2-propin-1-yl)kohlenstoffimidat [German] [ACD/IUPAC Name]
Hydrogéno(3-bromo-2-propyn-1-yl)carbonimidate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Methanol, 1-[(3-bromo-2-propyn-1-yl)imino]-1-(1,1-dimethylethoxy)- [ACD/Index Name]
MFCD28359119
TERT-BUTYL-3-BROMOPROP-2-YNYL-CARBAMATE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 271.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 59.2±6.0 kJ/mol
Flash Point: 117.9±30.1 °C
Index of Refraction: 1.476
Molar Refractivity: 52.2±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 29.90
ACD/KOC (pH 5.5): 280.03
ACD/LogD (pH 7.4): 1.02
ACD/BCF (pH 7.4): 1.20
ACD/KOC (pH 7.4): 11.27
Polar Surface Area: 42 Å2
Polarizability: 20.7±0.5 10-24cm3
Surface Tension: 33.0±7.0 dyne/cm
Molar Volume: 185.1±7.0 cm3

Click to predict properties on the Chemicalize site


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