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Search term: QNGYLHKGSNNZBB-OIXVIMQBSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2Z)-2-[(4-Phenylbutanoyl)amino]-2-butenoic acid | C14H17NO3

(2Z)-2-[(4-Phenylbutanoyl)amino]-2-butenoic acid

  • Molecular FormulaC14H17NO3
  • Average mass247.290 Da
  • Monoisotopic mass247.120850 Da
  • ChemSpider ID23111625

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-[(4-Phenylbutanoyl)amino]-2-butenoic acid [ACD/IUPAC Name]
(2Z)-2-[(4-Phenylbutanoyl)amino]-2-butensäure [German] [ACD/IUPAC Name]
2-Butenoic acid, 2-[(1-oxo-4-phenylbutyl)amino]-, (2Z)- [ACD/Index Name]
Acide (2Z)-2-[(4-phénylbutanoyl)amino]-2-buténoïque [French] [ACD/IUPAC Name]
(2Z)-2-[(4-phenylbutanoyl)amino]but-2-enoic acid
2-(4-Phenyl-butyrylamino)-but-2-enoic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 511.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: 263.1±30.1 °C
Index of Refraction: 1.551
Molar Refractivity: 68.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.12
ACD/LogD (pH 7.4): -1.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 215.3±3.0 cm3

Click to predict properties on the Chemicalize site


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