ChemSpider 2D Image | N-{[2-({[4-Carbamimidoyl(~13~C_6_)phenyl]amino}methyl)-1-methyl-1H-benzimidazol-5-yl]carbonyl}-N-2-pyridinyl-beta-alanine | C1913C6H25N7O3

N-{[2-({[4-Carbamimidoyl(13C6)phenyl]amino}methyl)-1-methyl-1H-benzimidazol-5-yl]carbonyl}-N-2-pyridinyl-β-alanine

  • Molecular FormulaC1913C6H25N7O3
  • Average mass477.467 Da
  • Monoisotopic mass477.222015 Da
  • ChemSpider ID57558855

  • Non-standard isotope - Non-standard isotope

More details:

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

N-{[2-({[4-Carbamimidoyl(13C6)phenyl]amino}methyl)-1-methyl-1H-benzimidazol-5-yl]carbonyl}-N-2-pyridinyl-β-alanin [German] [ACD/IUPAC Name]
N-{[2-({[4-Carbamimidoyl(13C6)phenyl]amino}methyl)-1-methyl-1H-benzimidazol-5-yl]carbonyl}-N-2-pyridinyl-β-alanine [ACD/IUPAC Name]
N-{[2-({[4-Carbamimidoyl(13C6)phényl]amino}méthyl)-1-méthyl-1H-benzimidazol-5-yl]carbonyl}-N-2-pyridinyl-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-[[2-[[[4-(aminoiminomethyl)phenyl-1,2,3,4,5,6-13C6]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl- [ACD/Index Name]
1210608-88-0 [RN]
3-[[2-[[(4-Carbamimidoyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)amino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoic acid
N-[2-({[4-Carbamimidoyl(13C6)phenyl]amino}methyl)-1-methyl-1H-benzimidazole-5-carbonyl]-N-pyridin-2-yl-β-alanine

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.694
Molar Refractivity: 130.8±0.5 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 60.9±7.0 dyne/cm
Molar Volume: 340.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement