ChemSpider 2D Image | tert-Butyl 4-((4-cyano-2-nitrophenyl)amino)piperidine-1-carboxylate | C17H22N4O4

tert-Butyl 4-((4-cyano-2-nitrophenyl)amino)piperidine-1-carboxylate

  • Molecular FormulaC17H22N4O4
  • Average mass346.381 Da
  • Monoisotopic mass346.164093 Da
  • ChemSpider ID13257552

More details:

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

1-Piperidinecarboxylic acid, 4-[(4-cyano-2-nitrophenyl)amino]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-[(4-cyano-2-nitrophenyl)amino]-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-[(4-cyan-2-nitrophenyl)amino]-1-piperidincarboxylat [German] [ACD/IUPAC Name]
320406-05-1 [RN]
4-[(4-Cyano-2-nitrophényl)amino]-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 4-((4-cyano-2-nitrophenyl)amino)piperidine-1-carboxylate
MFCD16037248 [MDL number]
tert-Butyl 4-((4-cyano-2-nitrophenyl)-amino)piperidine-1-carboxylate
tert-Butyl 4-(4-cyano-2-nitroanilino)piperidine-1-carboxylate
TERT-BUTYL 4-[(4-CYANO-2-NITROPHENYL)AMINO]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: 500.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.9±3.0 kJ/mol
Flash Point: 256.4±30.1 °C
Index of Refraction: 1.577
Molar Refractivity: 91.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 184.43
ACD/KOC (pH 5.5): 1457.09
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 184.43
ACD/KOC (pH 7.4): 1457.09
Polar Surface Area: 111 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 57.0±5.0 dyne/cm
Molar Volume: 274.4±5.0 cm3

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