ChemSpider 2D Image | Methyl 5-amino-2-[3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1-piperidinyl]benzoate | C18H27N3O4

Methyl 5-amino-2-[3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1-piperidinyl]benzoate

  • Molecular FormulaC18H27N3O4
  • Average mass349.425 Da
  • Monoisotopic mass349.200165 Da
  • ChemSpider ID26052917

More details:

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

5-Amino-2-[3-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-1-pipéridinyl]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 5-amino-2-[3-[[(1,1-dimethylethoxy)carbonyl]amino]-1-piperidinyl]-, methyl ester [ACD/Index Name]
Methyl 5-amino-2-[3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1-piperidinyl]benzoate [ACD/IUPAC Name]
Methyl-5-amino-2-[3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1-piperidinyl]benzoat [German] [ACD/IUPAC Name]
1280787-20-3 [RN]
3-Amino-1-[4-amino-2-(methoxycarbonyl)phenyl]piperidine, 3-Boc protected
4-{3-[(tert-Butoxycarbonyl)amino]piperidin-1-yl}-3-(methoxycarbonyl)aniline
4-{3-[(tert-Butoxycarbonyl)amino]piperidin-1-yl}-3-(methoxycarbonyl)aniline, 3-Amino-1-[4-amino-2-(methoxycarbonyl)phenyl]piperidine 3-BOC protected
4-{3-[(tert-Butoxycarbonyl)amino]piperidin-1-yl}-3-(methoxycarbonyl)aniline, 3-Amino-1-[4-amino-2-(methoxycarbonyl)phenyl]piperidine, 3-BOC protected
4-{3-[(tert-Butoxycarbonyl)amino]piperidin-1-yl}-3-(methoxycarbonyl)aniline; 3-Amino-1-[4-amino-2-(methoxycarbonyl)phenyl]piperidine 3-BOC protected
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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: 543.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.2±3.0 kJ/mol
Flash Point: 282.4±30.1 °C
Index of Refraction: 1.565
Molar Refractivity: 95.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.97
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 3.20
ACD/KOC (pH 5.5): 42.82
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 26.19
ACD/KOC (pH 7.4): 350.35
Polar Surface Area: 94 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 51.3±5.0 dyne/cm
Molar Volume: 291.8±5.0 cm3

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