ChemSpider 2D Image | 1-[(R)-(4-Chlorophenyl)(phenyl)methyl]-4-methyl-1,4-diazepane | C19H23ClN2

1-[(R)-(4-Chlorophenyl)(phenyl)methyl]-4-methyl-1,4-diazepane

  • Molecular FormulaC19H23ClN2
  • Average mass314.852 Da
  • Monoisotopic mass314.154968 Da
  • ChemSpider ID34992484

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-[(R)-(4-Chlorophenyl)(phenyl)methyl]-4-methyl-1,4-diazepane [ACD/IUPAC Name]
1-[(R)-(4-Chlorophényl)(phényl)méthyl]-4-méthyl-1,4-diazépane [French] [ACD/IUPAC Name]
1-[(R)-(4-Chlorphenyl)(phenyl)methyl]-4-methyl-1,4-diazepan [German] [ACD/IUPAC Name]
1H-1,4-Diazepine, 1-[(R)-(4-chlorophenyl)phenylmethyl]hexahydro-4-methyl- [ACD/Index Name]
212-699-1 [EINECS]
848-53-3 [RN]
homochlorcyclizine [BAN] [INN] [Wiki]
UNII-N5MVC31W2N

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

Density: 1.1±0.1 g/cm3
Boiling Point: 403.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.5±3.0 kJ/mol
Flash Point: 198.1±28.7 °C
Index of Refraction: 1.580
Molar Refractivity: 93.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.70
ACD/LogD (pH 5.5): 1.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.55
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 16.23
ACD/KOC (pH 7.4): 81.42
Polar Surface Area: 6 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 280.4±3.0 cm3

Click to predict properties on the Chemicalize site


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