ChemSpider 2D Image | PF-06305591 | C15H22N4O

PF-06305591

  • Molecular FormulaC15H22N4O
  • Average mass274.361 Da
  • Monoisotopic mass274.179352 Da
  • ChemSpider ID49070956

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3S)-3-Amino-2-methyl-3-[5-(2-methyl-2-propanyl)-1H-benzimidazol-2-yl]propanamid [German] [ACD/IUPAC Name]
(2R,3S)-3-Amino-2-methyl-3-[5-(2-methyl-2-propanyl)-1H-benzimidazol-2-yl]propanamide [ACD/IUPAC Name]
(2R,3S)-3-Amino-2-méthyl-3-[5-(2-méthyl-2-propanyl)-1H-benzimidazol-2-yl]propanamide [French] [ACD/IUPAC Name]
(αR,βS)-β-Amino-6-(1,1-dimethylethyl)-α-methyl-1H-benzimidazole-2-propanamide dihydrate
1449473-97-5 [RN]
1H-Benzimidazole-2-propanamide, β-amino-5-(1,1-dimethylethyl)-α-methyl-, (αR,βS)- [ACD/Index Name]
PF-06305591
(2R,3S)-3-amino-3-(6-tert-butyl-1H-benzimidazol-2-yl)-2-methylpropanamide
(αR,βS)-β-Amino-6-(1,1-dimethylethyl)-α-methyl-1H-benzimidazole-2-propanamide
1449473-97-5 (anhydrous)

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

G5Y3F1X9MU [DBID]
UNII:G5Y3F1X9MU [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 537.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.5±3.0 kJ/mol
Flash Point: 279.0±30.1 °C
Index of Refraction: 1.610
Molar Refractivity: 80.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 2.20
ACD/LogD (pH 5.5): 0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.53
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 7.50
ACD/KOC (pH 7.4): 133.33
Polar Surface Area: 98 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 233.2±3.0 cm3

Click to predict properties on the Chemicalize site


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