ChemSpider 2D Image | (S)-4-Benzyl-3-chloromethyl-morpholine | C12H16ClNO

(S)-4-Benzyl-3-chloromethyl-morpholine

  • Molecular FormulaC12H16ClNO
  • Average mass225.714 Da
  • Monoisotopic mass225.092041 Da
  • ChemSpider ID23009791

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-4-Benzyl-3-(chlormethyl)morpholin [German] [ACD/IUPAC Name]
(3S)-4-Benzyl-3-(chloromethyl)morpholine [ACD/IUPAC Name]
(3S)-4-Benzyl-3-(chlorométhyl)morpholine [French] [ACD/IUPAC Name]
(S)-4-Benzyl-3-(chloromethyl)morpholine
(S)-4-Benzyl-3-chloromethyl-morpholine
917572-28-2 [RN]
Morpholine, 3-(chloromethyl)-4-(phenylmethyl)-, (3S)- [ACD/Index Name]
(S)-4-Benzyl-3-chloromethylmorpholine
[917572-28-2] [RN]
ANW-73027
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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: 316.1±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 55.7±3.0 kJ/mol
    Flash Point: 144.9±23.7 °C
    Index of Refraction: 1.538
    Molar Refractivity: 62.3±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.73
    ACD/LogD (pH 5.5): 1.82
    ACD/BCF (pH 5.5): 12.00
    ACD/KOC (pH 5.5): 167.38
    ACD/LogD (pH 7.4): 2.14
    ACD/BCF (pH 7.4): 24.65
    ACD/KOC (pH 7.4): 343.73
    Polar Surface Area: 12 Å2
    Polarizability: 24.7±0.5 10-24cm3
    Surface Tension: 39.0±3.0 dyne/cm
    Molar Volume: 199.3±3.0 cm3

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