ChemSpider 2D Image | ABP-700 | C17H18N2O4

ABP-700

  • Molecular FormulaC17H18N2O4
  • Average mass314.336 Da
  • Monoisotopic mass314.126648 Da
  • ChemSpider ID52085549

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-(Methoxycarbonyl)cyclopropyl 1-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxylate [ACD/IUPAC Name]
1-(Methoxycarbonyl)cyclopropyl-1-[(1R)-1-phenylethyl]-1H-imidazol-5-carboxylat [German] [ACD/IUPAC Name]
1-[(1R)-1-Phényléthyl]-1H-imidazole-5-carboxylate de 1-(méthoxycarbonyl)cyclopropyle [French] [ACD/IUPAC Name]
1446482-29-6 [RN]
1H-Imidazole-5-carboxylic acid, 1-[(1R)-1-phenylethyl]-, 1-(methoxycarbonyl)cyclopropyl ester [ACD/Index Name]
ABP-700
LZ0835OW2M
(1-methoxycarbonylcyclopropyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
1H-Imidazole-5-carboxylic acid, 1-((1R)-1-phenylethyl)-, 1-(methoxycarbonyl)cyclopropyl ester
UNII:LZ0835OW2M

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

Density: 1.3±0.1 g/cm3
Boiling Point: 461.6±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.2±3.0 kJ/mol
Flash Point: 233.0±24.6 °C
Index of Refraction: 1.602
Molar Refractivity: 84.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.67
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 64.98
ACD/KOC (pH 5.5): 684.11
ACD/LogD (pH 7.4): 2.71
ACD/BCF (pH 7.4): 67.14
ACD/KOC (pH 7.4): 706.79
Polar Surface Area: 70 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 47.6±7.0 dyne/cm
Molar Volume: 247.4±7.0 cm3

Click to predict properties on the Chemicalize site


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