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

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

  • Molecular FormulaC13H18N2O
  • Average mass218.295 Da
  • Monoisotopic mass218.141907 Da
  • ChemSpider ID21374183

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-Amino-1-benzyl-2-azepanon [German] [ACD/IUPAC Name]
(3S)-3-Amino-1-benzyl-2-azepanone [ACD/IUPAC Name]
(3S)-3-Amino-1-benzyl-2-azépanone [French] [ACD/IUPAC Name]
(3S)-3-Amino-1-benzylazepan-2-one
209983-91-5 [RN]
2H-Azepin-2-one, 3-aminohexahydro-1-(phenylmethyl)-, (3S)- [ACD/Index Name]
L-α-Amino-ω-benzyl-1-caprolactam
(3S)-3-amino-1-benzylazaperhydroepin-2-one
(3S)-3-amino-1-benzyl-azepan-2-one
(3S)-3-Aminohexahydro-1-benzyl-2H-azepin-2-one
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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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