ChemSpider 2D Image | 2-Amino-3-cyano-4-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4H-chromen-7-yl (2-nitrophenoxy)acetate | C31H31N3O8

2-Amino-3-cyano-4-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4H-chromen-7-yl (2-nitrophenoxy)acetate

  • Molecular FormulaC31H31N3O8
  • Average mass573.593 Da
  • Monoisotopic mass573.211121 Da
  • ChemSpider ID12013651

More details:

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

(2-Nitrophénoxy)acétate de 2-amino-3-cyano-4-[3-éthoxy-4-(3-méthylbutoxy)phényl]-4H-chromén-7-yle [French] [ACD/IUPAC Name]
2-Amino-3-cyan-4-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4H-chromen-7-yl-(2-nitrophenoxy)acetat [German] [ACD/IUPAC Name]
2-Amino-3-cyano-4-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4H-chromen-7-yl (2-nitrophenoxy)acetate [ACD/IUPAC Name]
Acetic acid, 2-(2-nitrophenoxy)-, 2-amino-3-cyano-4-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4H-1-benzopyran-7-yl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 751.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.6±3.0 kJ/mol
Flash Point: 408.6±32.9 °C
Index of Refraction: 1.627
Molar Refractivity: 152.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 5.81
ACD/LogD (pH 5.5): 5.55
ACD/BCF (pH 5.5): 9651.27
ACD/KOC (pH 5.5): 24751.82
ACD/LogD (pH 7.4): 5.55
ACD/BCF (pH 7.4): 9662.70
ACD/KOC (pH 7.4): 24781.13
Polar Surface Area: 159 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 64.3±5.0 dyne/cm
Molar Volume: 429.0±5.0 cm3

Click to predict properties on the Chemicalize site


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