ChemSpider 2D Image | 3-[(3-Methyl-2-butenoyl)oxy]-4-(trimethylammonio)butanoate | C12H21NO4

3-[(3-Methyl-2-butenoyl)oxy]-4-(trimethylammonio)butanoate

  • Molecular FormulaC12H21NO4
  • Average mass243.299 Da
  • Monoisotopic mass243.147064 Da
  • ChemSpider ID29790539

More details:

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

1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-[(3-methyl-1-oxo-2-buten-1-yl)oxy]-, inner salt [ACD/Index Name]
3-[(3-Methyl-2-butenoyl)oxy]-4-(trimethylammonio)butanoat [German] [ACD/IUPAC Name]
3-[(3-Methyl-2-butenoyl)oxy]-4-(trimethylammonio)butanoate [ACD/IUPAC Name]
3-[(3-Méthyl-2-butenoyl)oxy]-4-(triméthylammonio)butanoate [French] [ACD/IUPAC Name]
(2R)-3-Carboxy-N,N,N-trimethyl-2-[(3-methyl-1-oxo-2-buten-1-yl)oxy]-1-propanaminium inner salt
3-Methylcrotonyl L-carnitine
3-METHYLCROTONYL-L-CARNITINE
64656-41-3 [RN]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -2.80
ACD/LogD (pH 5.5): -2.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.78
ACD/LogD (pH 7.4): -2.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.79
Polar Surface Area: 66 Å2
Polarizability:
Surface Tension:
Molar Volume:

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