ChemSpider 2D Image | Methyl 4-benzyl-3-morpholinecarboxylate | C13H17NO3

Methyl 4-benzyl-3-morpholinecarboxylate

  • Molecular FormulaC13H17NO3
  • Average mass235.279 Da
  • Monoisotopic mass235.120850 Da
  • ChemSpider ID20193613

More details:

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

212650-44-7 [RN]
3-Morpholinecarboxylic acid, 4-(phenylmethyl)-, methyl ester [ACD/Index Name]
4-Benzyl-3-morpholinecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-(phenylmethyl)-3-morpholinecarboxylate
Methyl 4-benzyl-3-morpholinecarboxylate [ACD/IUPAC Name]
methyl 4-benzylmorpholine-3-carboxylate
Methyl-4-benzyl-3-morpholincarboxylat [German] [ACD/IUPAC Name]
(R)-methyl 4-benzylmorpholine-3-carboxylate
(S)-4-Benzyl-morpholine-3-carboxylic acid methyl ester
(S)-methyl 4-benzylmorpholine-3-carboxylate
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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: 1.2±0.1 g/cm3
    Boiling Point: 314.5±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 55.6±3.0 kJ/mol
    Flash Point: 144.0±26.5 °C
    Index of Refraction: 1.536
    Molar Refractivity: 63.7±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.44
    ACD/LogD (pH 5.5): 1.48
    ACD/BCF (pH 5.5): 7.62
    ACD/KOC (pH 5.5): 144.05
    ACD/LogD (pH 7.4): 1.53
    ACD/BCF (pH 7.4): 8.56
    ACD/KOC (pH 7.4): 161.70
    Polar Surface Area: 39 Å2
    Polarizability: 25.3±0.5 10-24cm3
    Surface Tension: 43.4±3.0 dyne/cm
    Molar Volume: 204.5±3.0 cm3

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