ChemSpider 2D Image | 2-Methyl-2-propanyl 4-(6-amino-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-1-piperidinecarboxylate | C18H25N3O4

2-Methyl-2-propanyl 4-(6-amino-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-1-piperidinecarboxylate

  • Molecular FormulaC18H25N3O4
  • Average mass347.409 Da
  • Monoisotopic mass347.184509 Da
  • ChemSpider ID27420151

More details:

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

1-Piperidinecarboxylic acid, 4-(6-amino-2,3-dihydro-3-oxo-4H-1,4-benzoxazin-4-yl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-(6-amino-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-(6-amino-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-(6-Amino-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1171795-32-6 [RN]
1-piperidinecarboxylic acid, 4-(6-amino-2,3-dihydro-3-oxo-4H-1,4-benzoxazin-4-yl), 1,1-dimethylethyl ester
MFCD14282021 [MDL number]
tert-butyl 4-(6-amino-3-oxo-1,4-benzoxazin-4-yl)piperidine-1-carboxylate
tert-butyl 4-(6-amino-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)piperidine-1-carboxylate
tert-Butyl 4-(6-amino-3-oxo-2H-benzo[b][1,4]oxazin-4(3H)-yl)piperidine-1-carboxylate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 587.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.7±3.0 kJ/mol
Flash Point: 308.9±30.1 °C
Index of Refraction: 1.589
Molar Refractivity: 92.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.20
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 18.71
ACD/KOC (pH 5.5): 268.38
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 22.55
ACD/KOC (pH 7.4): 323.54
Polar Surface Area: 85 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 54.8±3.0 dyne/cm
Molar Volume: 275.5±3.0 cm3

Click to predict properties on the Chemicalize site


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