ChemSpider 2D Image | N~2~-Acetyl-N-(4-nitrophenyl)-alpha-glutamine | C13H15N3O6

N2-Acetyl-N-(4-nitrophenyl)-α-glutamine

  • Molecular FormulaC13H15N3O6
  • Average mass309.275 Da
  • Monoisotopic mass309.096100 Da
  • ChemSpider ID35766490

More details:

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

N2-Acetyl-N-(4-nitrophenyl)-α-glutamin [German] [ACD/IUPAC Name]
N2-Acetyl-N-(4-nitrophenyl)-α-glutamine [ACD/IUPAC Name]
N2-Acétyl-N-(4-nitrophényl)-α-glutamine [French] [ACD/IUPAC Name]
4-ACETAMIDO-4-[(4-NITROPHENYL)CARBAMOYL]BUTANOIC ACID
MFCD00237481
PENTANOICACID, 4-(ACETYLAMINO)-5-[(4-NITROPHENYL)AMINO]-5-OXO-, (S)- (9CI)

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

Density: 1.4±0.1 g/cm3
Boiling Point: 716.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.9±3.0 kJ/mol
Flash Point: 387.1±32.9 °C
Index of Refraction: 1.609
Molar Refractivity: 75.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.49
ACD/LogD (pH 5.5): -0.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.83
ACD/LogD (pH 7.4): -2.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 141 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 64.6±3.0 dyne/cm
Molar Volume: 217.8±3.0 cm3

Click to predict properties on the Chemicalize site


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