ChemSpider 2D Image | MFCD12674815 | C18H29N3O2

MFCD12674815

  • Molecular FormulaC18H29N3O2
  • Average mass319.442 Da
  • Monoisotopic mass319.225983 Da
  • ChemSpider ID23355266

More details:

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

1-Piperidinecarboxylic acid, 3-[[[(4-aminophenyl)methyl]amino]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-{[(4-aminobenzyl)amino]methyl}-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-{[(4-aminobenzyl)amino]methyl}-1-piperidincarboxylat [German] [ACD/IUPAC Name]
3-[(4-Amino-benzylamino)-methyl]-piperidine-1-carboxylic acid tert-butyl ester
3-{[(4-Aminobenzyl)amino]méthyl}-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
MFCD12674815
tert-Butyl 3-(((4-aminobenzyl)amino)methyl)piperidine-1-carboxylate
tert-Butyl 3-{[(4-aminobenzyl)amino]methyl}piperidine-1-carboxylate
1189107-00-3 [RN]
3-[(4-Aminobenzylamino)methyl]piperidine-1-carboxylic acid tert-butyl ester
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 455.7±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.6±3.0 kJ/mol
Flash Point: 229.4±21.8 °C
Index of Refraction: 1.546
Molar Refractivity: 93.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.80
ACD/LogD (pH 5.5): -0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.83
Polar Surface Area: 68 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 294.1±3.0 cm3

Click to predict properties on the Chemicalize site


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