ChemSpider 2D Image | (R)-nafagrel | C15H16N2O2

(R)-nafagrel

  • Molecular FormulaC15H16N2O2
  • Average mass256.300 Da
  • Monoisotopic mass256.121185 Da
  • ChemSpider ID21205181

More details:

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

(R)-nafagrel
1H-Imidazolium, 1-[(6-carboxy-1,2,3,4-tetrahydro-2-naphthalenyl)methyl]-, inner salt [ACD/Index Name]
6-(1H-Imidazol-3-ium-1-ylméthyl)-5,6,7,8-tétrahydro-2-naphtalènecarboxylate [French] [ACD/IUPAC Name]
6-(1H-Imidazol-3-ium-1-ylmethyl)-5,6,7,8-tetrahydro-2-naphthalenecarboxylate [ACD/IUPAC Name]
6-(1H-Imidazol-3-ium-1-ylmethyl)-5,6,7,8-tetrahydro-2-naphthalincarboxylat [German] [ACD/IUPAC Name]
771442-78-5 [RN]
97901-21-8 [RN]
nafagrel [INN]
NAFAGREL, (R)-
UNII-98PDQ9OL4V

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

BB9336747P [DBID]
UNII:BB9336747P [DBID]

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

Density:
Boiling Point: 507.6±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 260.8±28.2 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 1.15
ACD/BCF (pH 5.5): 1.26
ACD/KOC (pH 5.5): 9.34
ACD/LogD (pH 7.4): 0.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.53
Polar Surface Area: 59 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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