ChemSpider 2D Image | (1S,5S,7R)-7-Chloro-5-methyl-2-azabicyclo[4.1.0]hept-2-en-3-amine | C7H11ClN2

(1S,5S,7R)-7-Chloro-5-methyl-2-azabicyclo[4.1.0]hept-2-en-3-amine

  • Molecular FormulaC7H11ClN2
  • Average mass158.629 Da
  • Monoisotopic mass158.061081 Da
  • ChemSpider ID34892162

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1S,5S,7R)-7-Chlor-5-methyl-2-azabicyclo[4.1.0]hept-2-en-3-amin [German] [ACD/IUPAC Name]
(1S,5S,7R)-7-Chloro-5-methyl-2-azabicyclo[4.1.0]hept-2-en-3-amine [ACD/IUPAC Name]
(1S,5S,7R)-7-Chloro-5-méthyl-2-azabicyclo[4.1.0]hept-2-én-3-amine [French] [ACD/IUPAC Name]
2-Azabicyclo[4.1.0]hept-2-en-3-amine, 7-chloro-5-methyl-, (1S,5S,7R)- [ACD/Index Name]
773039-03-5 [RN]
CHEMBL105792

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

Density: 1.6±0.1 g/cm3
Boiling Point: 281.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.0±3.0 kJ/mol
Flash Point: 124.0±27.9 °C
Index of Refraction: 1.730
Molar Refractivity: 39.1±0.5 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.63
ACD/LogD (pH 5.5): 0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.17
ACD/LogD (pH 7.4): 0.32
ACD/BCF (pH 7.4): 1.04
ACD/KOC (pH 7.4): 35.68
Polar Surface Area: 38 Å2
Polarizability: 15.5±0.5 10-24cm3
Surface Tension: 52.2±7.0 dyne/cm
Molar Volume: 97.9±7.0 cm3

Click to predict properties on the Chemicalize site


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