ChemSpider 2D Image | 1-BOC-4-(CARBOXY-NAPHTHALEN-2-YL-METHYL)-[1,4]DIAZEPANE | C22H28N2O4

1-BOC-4-(CARBOXY-NAPHTHALEN-2-YL-METHYL)-[1,4]DIAZEPANE

  • Molecular FormulaC22H28N2O4
  • Average mass384.469 Da
  • Monoisotopic mass384.204895 Da
  • ChemSpider ID28567640

More details:

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

(4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,4-diazepan-1-yl)(2-naphthyl)acetic acid [ACD/IUPAC Name]
(4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1,4-diazepan-1-yl)(2-naphthyl)essigsäure [German] [ACD/IUPAC Name]
1-BOC-4-(CARBOXY-NAPHTHALEN-2-YL-METHYL)-[1,4]DIAZEPANE
1H-1,4-Diazepine-1-acetic acid, 4-[(1,1-dimethylethoxy)carbonyl]hexahydro-α-2-naphthalenyl- [ACD/Index Name]
885275-74-1 [RN]
Acide (4-{[(2-méthyl-2-propanyl)oxy]carbonyl}-1,4-diazépan-1-yl)(2-naphtyl)acétique [French] [ACD/IUPAC Name]
[4-(tert-Butoxycarbonyl)-1,4-diazepan-1-yl](naphthalen-2-yl)acetic acid
[885275-74-1] [RN]
1-boc-4-(carboxynaphthalen-2-ylmethyl)-[1,4]diazepane
1-boc-4-(carboxy-naphthalen-2-ylmethyl)-[1,4]diazepane
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 528.3±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 84.5±3.0 kJ/mol
    Flash Point: 273.3±30.1 °C
    Index of Refraction: 1.597
    Molar Refractivity: 108.2±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 4.07
    ACD/LogD (pH 5.5): 1.51
    ACD/BCF (pH 5.5): 2.16
    ACD/KOC (pH 5.5): 12.23
    ACD/LogD (pH 7.4): 1.37
    ACD/BCF (pH 7.4): 1.57
    ACD/KOC (pH 7.4): 8.90
    Polar Surface Area: 70 Å2
    Polarizability: 42.9±0.5 10-24cm3
    Surface Tension: 52.3±3.0 dyne/cm
    Molar Volume: 317.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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