ChemSpider 2D Image | (3S)-3-Amino-1-heptanol | C7H17NO

(3S)-3-Amino-1-heptanol

  • Molecular FormulaC7H17NO
  • Average mass131.216 Da
  • Monoisotopic mass131.131012 Da
  • ChemSpider ID28290226

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-Amino-1-heptanol [German] [ACD/IUPAC Name]
(3S)-3-Amino-1-heptanol [ACD/IUPAC Name]
(3S)-3-Amino-1-heptanol [French] [ACD/IUPAC Name]
1-Heptanol, 3-amino-, (3S)- [ACD/Index Name]
(3S)-3-Aminoheptan-1-ol
(S)-3-aminoheptan-1-ol
[1158985-17-1] [RN]
1158985-17-1 [RN]
MFCD19207949 [MDL number]

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: 0.9±0.1 g/cm3
    Boiling Point: 226.2±13.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 53.8±6.0 kJ/mol
    Flash Point: 90.6±19.8 °C
    Index of Refraction: 1.455
    Molar Refractivity: 39.5±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 3
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 0.82
    ACD/LogD (pH 5.5): -2.25
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.93
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 46 Å2
    Polarizability: 15.7±0.5 10-24cm3
    Surface Tension: 34.8±3.0 dyne/cm
    Molar Volume: 145.6±3.0 cm3

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