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Search term: C[C@H](NCc1cc(ccc1O)C(N)=N)C(O)=O (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | N-(5-Carbamimidoyl-2-hydroxybenzyl)alanine | C11H15N3O3

N-(5-Carbamimidoyl-2-hydroxybenzyl)alanine

  • Molecular FormulaC11H15N3O3
  • Average mass237.255 Da
  • Monoisotopic mass237.111343 Da
  • ChemSpider ID21542318

More details:

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

Alanine, N-[[5-(aminoiminomethyl)-2-hydroxyphenyl]methyl]- [ACD/Index Name]
N-(5-Carbamimidoyl-2-hydroxybenzyl)alanin [German] [ACD/IUPAC Name]
N-(5-Carbamimidoyl-2-hydroxybenzyl)alanine [ACD/IUPAC Name]
N-(5-Carbamimidoyl-2-hydroxybenzyl)alanine [French] [ACD/IUPAC Name]

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

108 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 464.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.4±3.0 kJ/mol
Flash Point: 234.4±31.5 °C
Index of Refraction: 1.621
Molar Refractivity: 59.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.18
ACD/LogD (pH 5.5): -3.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 119 Å2
Polarizability: 23.8±0.5 10-24cm3
Surface Tension: 56.7±7.0 dyne/cm
Molar Volume: 170.5±7.0 cm3

Click to predict properties on the Chemicalize site


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