ChemSpider 2D Image | (3R)-3-Amino-1-benzyl-2-azepanone | C13H18N2O

(3R)-3-Amino-1-benzyl-2-azepanone

  • Molecular FormulaC13H18N2O
  • Average mass218.295 Da
  • Monoisotopic mass218.141907 Da
  • ChemSpider ID28474119

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3-Amino-1-benzyl-2-azepanon [German] [ACD/IUPAC Name]
(3R)-3-Amino-1-benzyl-2-azepanone [ACD/IUPAC Name]
(3R)-3-Amino-1-benzyl-2-azépanone [French] [ACD/IUPAC Name]
(R)-3-Amino-hexahydro-1-(phenylmethyl)-2H-azepin-2-one
2H-Azepin-2-one, 3-aminohexahydro-1-(phenylmethyl)-, (3R)- [ACD/Index Name]
783368-48-9 [RN]
(3R)-3-AMINO-1-BENZYLAZEPAN-2-ONE
(R)-3-Amino-1-benzylazepan-2-one

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

CCRIS 4693 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 404.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.6±3.0 kJ/mol
Flash Point: 198.5±28.7 °C
Index of Refraction: 1.562
Molar Refractivity: 64.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.12
ACD/LogD (pH 5.5): -1.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.18
Polar Surface Area: 46 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 197.6±3.0 cm3

Click to predict properties on the Chemicalize site


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