ChemSpider 2D Image | TERT-BUTYL 2-AMINO-4-HYDROXY-8,9-DIHYDRO-5H-PYRIMIDO[4,5-D]AZEPINE-7(6H)-CARBOXYLATE | C13H20N4O3

TERT-BUTYL 2-AMINO-4-HYDROXY-8,9-DIHYDRO-5H-PYRIMIDO[4,5-D]AZEPINE-7(6H)-CARBOXYLATE

  • Molecular FormulaC13H20N4O3
  • Average mass280.323 Da
  • Monoisotopic mass280.153534 Da
  • ChemSpider ID24599357

More details:

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

1245646-44-9 [RN]
2-Amino-4-oxo-1,4,5,6,8,9-hexahydro-7H-pyrimido[4,5-d]azépine-7-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-amino-4-oxo-1,4,5,6,8,9-hexahydro-7H-pyrimido[4,5-d]azepine-7-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-amino-4-oxo-1,4,5,6,8,9-hexahydro-7H-pyrimido[4,5-d]azepin-7-carboxylat [German] [ACD/IUPAC Name]
7H-Pyrimido[4,5-d]azepine-7-carboxylic acid, 2-amino-5,6,8,9-tetrahydro-4-hydroxy-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-Butyl 2-amino-4-hydroxy-5,6,8,9-tetrahydro-7H-pyrimido[4,5-d]azepine-7-carboxylate
TERT-BUTYL 2-AMINO-4-HYDROXY-8,9-DIHYDRO-5H-PYRIMIDO[4,5-D]AZEPINE-7(6H)-CARBOXYLATE
7H-PyriMido[4,5-d]azepine-7-carboxylic acid, 2-aMino-3,4,5,6,8,9-hexahydro-4-oxo-, 1,1-diMethylethyl
MFCD15071682
tert-Butyl 2-amino-4-oxo-1,4,5,6,8,9-hexahydro-7H-pyrimido[4,5-d]azepine-7-carboxylate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 502.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.1±3.0 kJ/mol
Flash Point: 257.7±32.9 °C
Index of Refraction: 1.587
Molar Refractivity: 73.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.21
ACD/LogD (pH 5.5): -0.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.24
ACD/LogD (pH 7.4): -0.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.24
Polar Surface Area: 102 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 61.9±3.0 dyne/cm
Molar Volume: 219.4±3.0 cm3

Click to predict properties on the Chemicalize site


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