ChemSpider 2D Image | Methyl N~2~-(4-methylbenzoyl)-N~5~-(N-nitrocarbamimidoyl)ornithinate | C15H21N5O5

Methyl N2-(4-methylbenzoyl)-N5-(N-nitrocarbamimidoyl)ornithinate

  • Molecular FormulaC15H21N5O5
  • Average mass351.358 Da
  • Monoisotopic mass351.154266 Da
  • ChemSpider ID24756413

More details:

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

Methyl N2-(4-methylbenzoyl)-N5-(N-nitrocarbamimidoyl)ornithinate [ACD/IUPAC Name]
Methyl-N2-(4-methylbenzoyl)-N5-(N-nitrocarbamimidoyl)ornithinat [German] [ACD/IUPAC Name]
N2-(4-Méthylbenzoyl)-N5-(N-nitrocarbamimidoyl)ornithinate de méthyle [French] [ACD/IUPAC Name]
Ornithine, N5-[imino(nitroamino)methyl]-N2-(4-methylbenzoyl)-, methyl ester [ACD/Index Name]
METHYL 2-[(4-METHYLPHENYL)FORMAMIDO]-5-(N`-NITROCARBAMIMIDAMIDO)PENTANOATE
methyl 5-{[imino(nitroamino)methyl]amino}-2-[(4-methylphenyl)carbonylamino]pentanoate
methyl N5-[imino(nitroamino)methyl]-N2-(4-methylbenzoyl)ornithinate

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.594
Molar Refractivity: 88.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 1.03
ACD/LogD (pH 5.5): 0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.47
ACD/LogD (pH 7.4): -1.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 149 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 53.4±7.0 dyne/cm
Molar Volume: 261.1±7.0 cm3

Click to predict properties on the Chemicalize site


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