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Search term: OZXBSTCCARQDBM-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Isopropyl 2-[(4,5-dihydro-1H-imidazol-2-ylmethyl)amino]benzoate | C14H19N3O2

Isopropyl 2-[(4,5-dihydro-1H-imidazol-2-ylmethyl)amino]benzoate

  • Molecular FormulaC14H19N3O2
  • Average mass261.320 Da
  • Monoisotopic mass261.147736 Da
  • ChemSpider ID23185433

More details:

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

2-[(4,5-Dihydro-1H-imidazol-2-ylméthyl)amino]benzoate d'isopropyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[(4,5-dihydro-1H-imidazol-2-yl)methyl]amino]-, 1-methylethyl ester [ACD/Index Name]
Isopropyl 2-[(4,5-dihydro-1H-imidazol-2-ylmethyl)amino]benzoate [ACD/IUPAC Name]
Isopropyl-2-[(4,5-dihydro-1H-imidazol-2-ylmethyl)amino]benzoat [German] [ACD/IUPAC Name]
propan-2-yl 2-[(4,5-dihydro-1H-imidazol-2-ylmethyl)amino]benzoate
2-[(4,5-Dihydro-1H-imidazol-2-ylmethyl)-amino]-benzoic acid isopropyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL319553/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 456.5±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.6±3.0 kJ/mol
Flash Point: 229.9±23.2 °C
Index of Refraction: 1.587
Molar Refractivity: 73.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 0.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.14
ACD/LogD (pH 7.4): 0.95
ACD/BCF (pH 7.4): 1.05
ACD/KOC (pH 7.4): 10.00
Polar Surface Area: 63 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 42.5±7.0 dyne/cm
Molar Volume: 217.2±7.0 cm3

Click to predict properties on the Chemicalize site


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