ChemSpider 2D Image | (S)-nepinalone | C18H25NO

(S)-nepinalone

  • Molecular FormulaC18H25NO
  • Average mass271.397 Da
  • Monoisotopic mass271.193604 Da
  • ChemSpider ID34992003

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-1-Méthyl-1-[2-(1-pipéridinyl)éthyl]-3,4-dihydro-2(1H)-naphtalénone [French] [ACD/IUPAC Name]
(1S)-1-Methyl-1-[2-(1-piperidinyl)ethyl]-3,4-dihydro-2(1H)-naphthalenone [ACD/IUPAC Name]
(1S)-1-Methyl-1-[2-(1-piperidinyl)ethyl]-3,4-dihydro-2(1H)-naphthalinon [German] [ACD/IUPAC Name]
(S)-nepinalone
1352043-35-6 [RN]
2(1H)-Naphthalenone, 3,4-dihydro-1-methyl-1-[2-(1-piperidinyl)ethyl]-, (1S)- [ACD/Index Name]
22443-11-4 [RN]
Nepinalone [INN]
NEPINALONE, (S)-
UNII-L9806LPR7G

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

XCR81K70CC [DBID]
UNII:XCR81K70CC [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: 395.8±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.6±3.0 kJ/mol
Flash Point: 181.2±15.5 °C
Index of Refraction: 1.536
Molar Refractivity: 81.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.19
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 2.28
ACD/KOC (pH 7.4): 19.50
Polar Surface Area: 20 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 262.3±3.0 cm3

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