ChemSpider 2D Image | 6,7,8,9-Tetrahydro-5H-imidazo[1,2-a][1,4]diazepine-6-carboxylic acid | C8H11N3O2

6,7,8,9-Tetrahydro-5H-imidazo[1,2-a][1,4]diazepine-6-carboxylic acid

  • Molecular FormulaC8H11N3O2
  • Average mass181.192 Da
  • Monoisotopic mass181.085129 Da
  • ChemSpider ID71103312

More details:

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

5H-Imidazo[1,2-a][1,4]diazepine-6-carboxylic acid, 6,7,8,9-tetrahydro- [ACD/Index Name]
6,7,8,9-Tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-6-carbonsäure [German] [ACD/IUPAC Name]
6,7,8,9-Tetrahydro-5H-imidazo[1,2-a][1,4]diazepine-6-carboxylic acid [ACD/IUPAC Name]
Acide 6,7,8,9-tétrahydro-5H-imidazo[1,2-a][1,4]diazépine-6-carboxylique [French] [ACD/IUPAC Name]
2253630-46-3 [RN]
5H,6H,7H,8H,9H-imidazo[1,2-a][1,4]diazepine-6-carboxylic acid
MFCD31720028

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

Density: 1.5±0.1 g/cm3
Boiling Point: 482.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.7±3.0 kJ/mol
Flash Point: 245.4±27.3 °C
Index of Refraction: 1.701
Molar Refractivity: 46.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.27
ACD/LogD (pH 5.5): -3.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 67 Å2
Polarizability: 18.3±0.5 10-24cm3
Surface Tension: 65.4±7.0 dyne/cm
Molar Volume: 119.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement