ChemSpider 2D Image | INDOLEBUTYROYL ASPARTIC ACID | C16H18N2O5

INDOLEBUTYROYL ASPARTIC ACID

  • Molecular FormulaC16H18N2O5
  • Average mass318.324 Da
  • Monoisotopic mass318.121582 Da
  • ChemSpider ID64880756

More details:

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

Acide N-[4-(1H-indol-3-yl)butanoyl]aspartique [French] [ACD/IUPAC Name]
Aspartic acid, N-[4-(1H-indol-3-yl)-1-oxobutyl]- [ACD/Index Name]
INDOLEBUTYROYL ASPARTIC ACID
N-[4-(1H-Indol-3-yl)butanoyl]asparaginsäure [German] [ACD/IUPAC Name]
N-[4-(1H-Indol-3-yl)butanoyl]aspartic acid [ACD/IUPAC Name]
101289-65-0 [RN]

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

YL6E9848ZV [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 640.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.4±3.0 kJ/mol
Flash Point: 341.2±31.5 °C
Index of Refraction: 1.640
Molar Refractivity: 82.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.49
ACD/LogD (pH 5.5): -2.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 119 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 68.7±3.0 dyne/cm
Molar Volume: 229.3±3.0 cm3

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