ChemSpider 2D Image | (R)-N-Cbz-3,4-dihydro-1H-isoquinolinecarboxylic acid | C18H17NO4

(R)-N-Cbz-3,4-dihydro-1H-isoquinolinecarboxylic acid

  • Molecular FormulaC18H17NO4
  • Average mass311.332 Da
  • Monoisotopic mass311.115753 Da
  • ChemSpider ID21521312

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1R)-2-[(Benzyloxy)carbonyl]-1,2,3,4-tetrahydro-1-isochinolincarbonsäure [German] [ACD/IUPAC Name]
(1R)-2-[(Benzyloxy)carbonyl]-1,2,3,4-tetrahydro-1-isoquinolinecarboxylic acid [ACD/IUPAC Name]
(1R)-2-[(Benzyloxy)carbonyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
(R)-N-Cbz-3,4-dihydro-1H-isoquinolinecarboxylic acid
1,2(1H)-Isoquinolinedicarboxylic acid, 3,4-dihydro-, 2-(phenylmethyl) ester, (1R)- [ACD/Index Name]
151004-88-5 [RN]
Acide (1R)-2-[(benzyloxy)carbonyl]-1,2,3,4-tétrahydro-1-isoquinoléinecarboxylique [French] [ACD/IUPAC Name]
(1R)-2-[(benzyloxy)carbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
(1R)-2-[benzyloxycarbonyl]-1,2,3,4-tetrahydroisoquinolinecarboxylic acid
(R)-2-((benzyloxy)carbonyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
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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: 1.3±0.1 g/cm3
    Boiling Point: 521.6±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 83.7±3.0 kJ/mol
    Flash Point: 269.2±30.1 °C
    Index of Refraction: 1.620
    Molar Refractivity: 83.5±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.69
    ACD/LogD (pH 5.5): 1.29
    ACD/BCF (pH 5.5): 1.85
    ACD/KOC (pH 5.5): 14.36
    ACD/LogD (pH 7.4): -0.21
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 67 Å2
    Polarizability: 33.1±0.5 10-24cm3
    Surface Tension: 58.7±3.0 dyne/cm
    Molar Volume: 237.9±3.0 cm3

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