Found 1 result

Search term: 209983-96-0 (Found by approved synonym)
ChemSpider 2D Image | (S)-3-amino-1-methylazepan-2-one | C7H14N2O

(S)-3-amino-1-methylazepan-2-one

  • Molecular FormulaC7H14N2O
  • Average mass142.199 Da
  • Monoisotopic mass142.110611 Da
  • ChemSpider ID21107860

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-Amino-1-methyl-2-azepanon [German] [ACD/IUPAC Name]
(3S)-3-Amino-1-methyl-2-azepanone [ACD/IUPAC Name]
(3S)-3-Amino-1-méthyl-2-azépanone [French] [ACD/IUPAC Name]
(3S)-3-amino-1-methylazepan-2-one
(S)-3-amino-1-methylazepan-2-one
(S)-3-Amino-1-methyl-azepan-2-one
209983-96-0 [RN]
2H-Azepin-2-one, 3-aminohexahydro-1-methyl-, (3S)- [ACD/Index Name]
L-α-Amino-ω-methyl-1-caprolactam
MFCD01861210 [MDL number]
More...

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: 1.0±0.1 g/cm3
    Boiling Point: 273.6±33.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 51.2±3.0 kJ/mol
    Flash Point: 119.3±25.4 °C
    Index of Refraction: 1.481
    Molar Refractivity: 39.6±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: -0.58
    ACD/LogD (pH 5.5): -2.97
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.27
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.99
    Polar Surface Area: 46 Å2
    Polarizability: 15.7±0.5 10-24cm3
    Surface Tension: 35.5±3.0 dyne/cm
    Molar Volume: 139.3±3.0 cm3

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