ChemSpider 2D Image | (3S)-1-(2,4-Dichlorophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid | C18H14Cl2N2O2

(3S)-1-(2,4-Dichlorophenyl)-2,3,4,9-tetrahydro-1H-β-carboline-3-carboxylic acid

  • Molecular FormulaC18H14Cl2N2O2
  • Average mass361.222 Da
  • Monoisotopic mass360.043243 Da
  • ChemSpider ID25091245

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(3S)-1-(2,4-Dichlorophenyl)-2,3,4,9-tetrahydro-1H-β-carboline-3-carboxylic acid [ACD/IUPAC Name]
(3S)-1-(2,4-Dichlorphenyl)-2,3,4,9-tetrahydro-1H-β-carbolin-3-carbonsäure [German] [ACD/IUPAC Name]
1H-Pyrido[3,4-b]indole-3-carboxylic acid, 1-(2,4-dichlorophenyl)-2,3,4,9-tetrahydro-, (3S)- [ACD/Index Name]
Acide (3S)-1-(2,4-dichlorophényl)-2,3,4,9-tétrahydro-1H-β-carboline-3-carboxylique [French] [ACD/IUPAC Name]
(3S)-1-(2,4-dichlorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
1217513-24-0 [RN]
Benzoic acid, 4-(aminomethyl)- (9CI) [ACD/Index Name]
MMV008138

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 577.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.0±3.0 kJ/mol
Flash Point: 303.3±30.1 °C
Index of Refraction: 1.697
Molar Refractivity: 94.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.36
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 1.33
ACD/KOC (pH 5.5): 8.30
ACD/LogD (pH 7.4): 1.24
ACD/BCF (pH 7.4): 1.29
ACD/KOC (pH 7.4): 8.07
Polar Surface Area: 65 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 64.1±3.0 dyne/cm
Molar Volume: 245.1±3.0 cm3

Click to predict properties on the Chemicalize site


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