ChemSpider 2D Image | 3-[(tert-Butoxycarbonyl)(methyl)amino]-2-(3-chlorobenzyl)propanoic acid | C16H22ClNO4

3-[(tert-Butoxycarbonyl)(methyl)amino]-2-(3-chlorobenzyl)propanoic acid

  • Molecular FormulaC16H22ClNO4
  • Average mass327.803 Da
  • Monoisotopic mass327.123749 Da
  • ChemSpider ID21373598

More details:

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

2-(3-Chlorbenzyl)-3-(methyl{[(2-methyl-2-propanyl)oxy]carbonyl}amino)propansäure [German] [ACD/IUPAC Name]
2-(3-Chlorobenzyl)-3-(methyl{[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid [ACD/IUPAC Name]
3-[(tert-Butoxycarbonyl)(methyl)amino]-2-(3-chlorobenzyl)propanoic acid
886364-77-8 [RN]
Acide 2-(3-chlorobenzyl)-3-(méthyl{[(2-méthyl-2-propanyl)oxy]carbonyl}amino)propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 3-chloro-α-[[[(1,1-dimethylethoxy)carbonyl]methylamino]methyl]- [ACD/Index Name]
2-[(tert-Butoxycarbonyl-methyl-amino)-methyl]-3-(3-chloro-phenyl)-propionic acid
2-{[(tert-Butoxycarbonyl)(methyl)amino]methyl}-3-(3-chlorophenyl)propanoic acid
2-N-Boc-3-(3-Chloro-phenyl)-2-methylaminomethyl-
2-N-Boc-3-(3-chlorophenyl)-2-methylaminomethyl propionic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 446.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.2±3.0 kJ/mol
Flash Point: 223.5±27.3 °C
Index of Refraction: 1.535
Molar Refractivity: 84.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.12
ACD/LogD (pH 5.5): 2.31
ACD/BCF (pH 5.5): 15.30
ACD/KOC (pH 5.5): 96.97
ACD/LogD (pH 7.4): 0.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.71
Polar Surface Area: 67 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 272.0±3.0 cm3

Click to predict properties on the Chemicalize site


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