ChemSpider 2D Image | tert-Butyl 4-(5-oxo-1,4-diazepan-1-yl)piperidine-1-carboxylate | C15H27N3O3

tert-Butyl 4-(5-oxo-1,4-diazepan-1-yl)piperidine-1-carboxylate

  • Molecular FormulaC15H27N3O3
  • Average mass297.393 Da
  • Monoisotopic mass297.205231 Da
  • ChemSpider ID21423222

More details:






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

1-Piperidinecarboxylic acid, 4-(hexahydro-5-oxo-1H-1,4-diazepin-1-yl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-(5-oxo-1,4-diazepan-1-yl)-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-(5-oxo-1,4-diazepan-1-yl)-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-(5-Oxo-1,4-diazépan-1-yl)-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 4-(5-oxo-1,4-diazepan-1-yl)piperidine-1-carboxylate
(R)-tert-butyl 1-(benzylamino)-3-hydroxy-1-oxopropan-2-ylcarbamate
[1092351-45-5]
109235-14-5 [RN]
1092351-45-5 [RN]
'1092351-45-5
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 457.0±45.0 °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: 230.2±28.7 °C
Index of Refraction: 1.510
Molar Refractivity: 79.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.11
ACD/LogD (pH 5.5): -1.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.40
Polar Surface Area: 62 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 266.1±3.0 cm3

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