Found 1 result

Search term: 1035226-84-6 (Found by approved synonym)
ChemSpider 2D Image | MFCD08437660 | C11H22N2O2

MFCD08437660

  • Molecular FormulaC11H22N2O2
  • Average mass214.305 Da
  • Monoisotopic mass214.168121 Da
  • ChemSpider ID24957765

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Méthyl-1,4-diazépane-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
(S)-1-Boc-2-Methyl-[1,4]diazepane
1035226-84-6 [RN]
194032-32-1 [RN]
1H-1,4-Diazepine-1-carboxylic acid, hexahydro-2-methyl-, 1,1-dimethylethyl ester, (2S)- [ACD/Index Name]
2-Methyl-2-propanyl (2S)-2-methyl-1,4-diazepane-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2S)-2-methyl-1,4-diazepan-1-carboxylat [German] [ACD/IUPAC Name]
MFCD08437660
tert-butyl (S)-2-methyl-1,4-diazepane-1-carboxylate
(2S)-Hexahydro-2-methyl-1H-1,4-diazepine-1-carboxylic Acid 1,1-Dimethylethyl Ester
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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: 1.0±0.1 g/cm3
    Boiling Point: 288.3±23.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 52.8±3.0 kJ/mol
    Flash Point: 128.2±22.6 °C
    Index of Refraction: 1.457
    Molar Refractivity: 59.5±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.43
    ACD/LogD (pH 5.5): -1.25
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.33
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.68
    Polar Surface Area: 42 Å2
    Polarizability: 23.6±0.5 10-24cm3
    Surface Tension: 31.0±3.0 dyne/cm
    Molar Volume: 218.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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