ChemSpider 2D Image | 3-(TERT-BUTOXY)-3-OXO-2-[(QUINOLIN-4-YL)METHYL]PROPANOIC ACID | C17H19NO4

3-(TERT-BUTOXY)-3-OXO-2-[(QUINOLIN-4-YL)METHYL]PROPANOIC ACID

  • Molecular FormulaC17H19NO4
  • Average mass301.337 Da
  • Monoisotopic mass301.131409 Da
  • ChemSpider ID32865223

More details:

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

1799439-14-7 [RN]
2-(4-Chinolinylmethyl)-3-[(2-methyl-2-propanyl)oxy]-3-oxopropansäure [German] [ACD/IUPAC Name]
3-(TERT-BUTOXY)-3-OXO-2-[(QUINOLIN-4-YL)METHYL]PROPANOIC ACID
3-[(2-Methyl-2-propanyl)oxy]-3-oxo-2-(4-quinolinylmethyl)propanoic acid [ACD/IUPAC Name]
Acide 3-[(2-méthyl-2-propanyl)oxy]-3-oxo-2-(4-quinoléinylméthyl)propanoïque [French] [ACD/IUPAC Name]
Propanedioic acid, 2-(4-quinolinylmethyl)-, mono(1,1-dimethylethyl) ester [ACD/Index Name]
2-((tert-Butoxycarbonyl)amino)-3-(quinolin-4-yl)propanoic acid
2-(Boc)-3-(Quinolin-4-yl)propanoic acid
2-(t-Butoxycarbonyl)-3-(quinolin-4-yl)propanoic acid
2-(tert-butoxycarbonyl)-3-(quinolin-4-yl)propanoic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 471.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.4±3.0 kJ/mol
Flash Point: 239.2±25.9 °C
Index of Refraction: 1.585
Molar Refractivity: 82.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.54
ACD/LogD (pH 7.4): -0.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 247.2±3.0 cm3

Click to predict properties on the Chemicalize site


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