ChemSpider 2D Image | 2-Methyl-2-propanyl 2-(4-aminobenzoyl)-1,2-diazepane-1-carboxylate | C17H25N3O3

2-Methyl-2-propanyl 2-(4-aminobenzoyl)-1,2-diazepane-1-carboxylate

  • Molecular FormulaC17H25N3O3
  • Average mass319.399 Da
  • Monoisotopic mass319.189606 Da
  • ChemSpider ID25072932

More details:






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

1,1-Dimethylethyl 2-(4-aminobenzoyl)hexahydro-1H-1,2-diazepine-1-carboxylate
1135283-03-2 [RN]
1H-1,2-Diazepine-1-carboxylic acid, 2-(4-aminobenzoyl)hexahydro-, 1,1-dimethylethyl ester [ACD/Index Name]
2-(4-Aminobenzoyl)-1,2-diazépane-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-(4-aminobenzoyl)-1,2-diazepane-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-(4-aminobenzoyl)-1,2-diazepan-1-carboxylat [German] [ACD/IUPAC Name]
aminobenzoyldiazepanecarboxylate
MFCD11840980 [MDL number]
tert-Butyl 2-(4-aminobenzoyl)-1,2-diazepane-1-carboxylate
tert-butyl 2-(4-aminobenzoyl)diazepane-1-carboxylate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 456.7±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.7±3.0 kJ/mol
Flash Point: 230.0±29.3 °C
Index of Refraction: 1.565
Molar Refractivity: 88.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.84
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 20.53
ACD/KOC (pH 5.5): 302.32
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 20.61
ACD/KOC (pH 7.4): 303.57
Polar Surface Area: 76 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 272.8±3.0 cm3

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