ChemSpider 2D Image | tert-butyl 3-[(N'-hydroxycarbamimidoyl)methyl]piperidine-1-carboxylate | C12H23N3O3

tert-butyl 3-[(N'-hydroxycarbamimidoyl)methyl]piperidine-1-carboxylate

  • Molecular FormulaC12H23N3O3
  • Average mass257.329 Da
  • Monoisotopic mass257.173950 Da
  • ChemSpider ID25997361

More details:

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

1258828-07-7 [RN]
1-Piperidinecarboxylic acid, 3-[2-(hydroxyamino)-2-iminoethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-[2-(hydroxyamino)-2-iminoethyl]-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-[2-(hydroxyamino)-2-iminoethyl]-1-piperidincarboxylat [German] [ACD/IUPAC Name]
3-[2-(Hydroxyamino)-2-iminoéthyl]-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-butyl 3-[(N'-hydroxycarbamimidoyl)methyl]piperidine-1-carboxylate
MFCD17167214 [MDL number]
TERT-BUTYL-3-[(N'-HYDROXYCARBAMIMIDOYL)METHYL]PIPERIDINE-1-CARBOXYLATE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 408.8±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 76.4±6.0 kJ/mol
Flash Point: 201.1±26.5 °C
Index of Refraction: 1.543
Molar Refractivity: 67.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.96
ACD/LogD (pH 5.5): 0.89
ACD/BCF (pH 5.5): 2.34
ACD/KOC (pH 5.5): 52.32
ACD/LogD (pH 7.4): 1.17
ACD/BCF (pH 7.4): 4.52
ACD/KOC (pH 7.4): 101.02
Polar Surface Area: 88 Å2
Polarizability: 26.7±0.5 10-24cm3
Surface Tension: 43.1±7.0 dyne/cm
Molar Volume: 213.4±7.0 cm3

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