ChemSpider 2D Image | (4R)-7,8-Dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile | C18H18Cl2N4O

(4R)-7,8-Dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[β-carboline-3,4'-piperidine]-4-carbonitrile

  • Molecular FormulaC18H18Cl2N4O
  • Average mass377.268 Da
  • Monoisotopic mass376.085754 Da
  • ChemSpider ID25056752
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(4R)-7,8-Dichlor-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[β-carboline-3,4'-piperidine]-4-carbonitril [German] [ACD/IUPAC Name]
(4R)-7,8-Dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[β-carboline-3,4'-piperidine]-4-carbonitrile [ACD/IUPAC Name]
(4R)-7,8-Dichloro-1',9-diméthyl-1-oxo-1,2,4,9-tétrahydrospiro[β-carboline-3,4'-piperidine]-4-carbonitrile [French] [ACD/IUPAC Name]
Spiro[piperidine-4,3'-[3H]pyrido[3,4-b]indole]-4'-carbonitrile, 7',8'-dichloro-1',2',4',9'-tetrahydro-1,9'-dimethyl-1'-oxo-, (4'R)- [ACD/Index Name]
(1'R)-6',7'-dichloro-1,5'-dimethyl-4'-oxo-1',3',4',5'-tetrahydrospiro[piperidine-4,2'-pyrido[3,4-b]indole]-1'-carbonitrile
(4'R)-7',8'-dichloro-1,9'-dimethyl-1'-oxo-1',2',4',9'-tetrahydrospiro[piperidine-4,3'-pyrido[3,4-b]indole]-4'-carbonitrile
(4'R)-7',8'-dichloro-1,9'-dimethyl-1'-oxo-2',4'-dihydrospiro[piperidine-4,3'-pyrido[3,4-b]indole]-4'-carbonitrile
7CP

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 658.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.9±3.0 kJ/mol
Flash Point: 351.8±31.5 °C
Index of Refraction: 1.714
Molar Refractivity: 98.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.04
ACD/LogD (pH 5.5): 0.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.34
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 5.38
ACD/KOC (pH 7.4): 55.69
Polar Surface Area: 61 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 56.7±7.0 dyne/cm
Molar Volume: 250.9±7.0 cm3

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