ChemSpider 2D Image | MFCD19705130 | C18H29NO3

MFCD19705130

  • Molecular FormulaC18H29NO3
  • Average mass307.428 Da
  • Monoisotopic mass307.214752 Da
  • ChemSpider ID21896736

More details:






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

(1-(3-OXO-2-AZA-SPIRO(4.5)DEC-2-YLMETHYL)-CYCLOHEXYL)-ACETIC ACID
{1-[(3-Oxo-2-azaspiro[4.5]dec-2-yl)methyl]cyclohexyl}acetic acid [ACD/IUPAC Name]
{1-[(3-Oxo-2-azaspiro[4.5]dec-2-yl)methyl]cyclohexyl}essigsäure [German] [ACD/IUPAC Name]
1-[(3-oxo-2-azaspiro[4.5]dec-2-yl)methyl]cyclohexaneacetic acid
1076198-17-8 [RN]
2-(1-((3-Oxo-2-azaspiro[4.5]decan-2-yl)methyl)cyclohexyl)acetic acid
Acide {1-[(3-oxo-2-azaspiro[4.5]déc-2-yl)méthyl]cyclohexyl}acétique [French] [ACD/IUPAC Name]
Cyclohexaneacetic acid, 1-[(3-oxo-2-azaspiro[4.5]dec-2-yl)methyl]- [ACD/Index Name]
Gabapentin Related Compound D
Gabapentin Related Material D
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

E5OQO8X4IC [DBID]
UNII:E5OQO8X4IC [DBID]
UNII-E5OQO8X4IC [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 510.2±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 85.5±6.0 kJ/mol
Flash Point: 262.4±22.6 °C
Index of Refraction: 1.548
Molar Refractivity: 84.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 2.92
ACD/BCF (pH 5.5): 61.29
ACD/KOC (pH 5.5): 383.61
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.10
Polar Surface Area: 58 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 267.2±5.0 cm3

Click to predict properties on the Chemicalize site






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