Cas no 95782-09-5 (1-Propanaminium,3-carboxy-N,N,N-trimethyl-2-[(1-oxo-2-propylpentyl)oxy]-, inner salt, (2R)-)

1-Propanaminium,3-carboxy-N,N,N-trimethyl-2-[(1-oxo-2-propylpentyl)oxy]-, inner salt, (2R)- structure
95782-09-5 structure
Product Name:1-Propanaminium,3-carboxy-N,N,N-trimethyl-2-[(1-oxo-2-propylpentyl)oxy]-, inner salt, (2R)-
CAS No:95782-09-5
MF:C15H29NO4
MW:287.395065069199
CID:811220
PubChem ID:125849
Update Time:2025-04-19

1-Propanaminium,3-carboxy-N,N,N-trimethyl-2-[(1-oxo-2-propylpentyl)oxy]-, inner salt, (2R)- Chemical and Physical Properties

Names and Identifiers

    • 1-Propanaminium,3-carboxy-N,N,N-trimethyl-2-[(1-oxo-2-propylpentyl)oxy]-, inner salt, (2R)-
    • valproylcarnitine
    • 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-[(1-oxo-2-propylpentyl)oxy]-, inner salt, (2R)-
    • Valproyl L-carnitine
    • UNII-5Q9MQB3YZR
    • (R)-3-Carboxy-N,N,N-trimethyl-2-((1-oxo-2-propylpentyl)oxy)-1-propanaminium hydroxide, inner salt
    • 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-((1-oxo-2-propylpentyl)oxy)-, hydroxide, inner salt, (R)-
    • (3R)-3-(2-propylpentanoyloxy)-4-(trimethylazaniumyl)butanoate
    • DTXSID20914812
    • 3-[(2-Propylpentanoyl)oxy]-4-(trimethylazaniumyl)butanoate
    • 5Q9MQB3YZR
    • 95782-09-5
    • Inchi： 1S/C15H29NO4/c1-6-8-12(9-7-2)15(19)20-13(10-14(17)18)11-16(3,4)5/h12-13H,6-11H2,1-5H3/t13-/m1/s1
    • InChI Key： FJMHZSLUVROGSY-CYBMUJFWSA-N
    • SMILES： O(C(C(CCC)CCC)=O)[C@H](CC(=O)[O-])C[N+](C)(C)C

Computed Properties

  • Exact Mass: 287.20965841g/mol
  • Monoisotopic Mass: 287.20965841g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 10
  • Complexity: 298
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.2
  • Topological Polar Surface Area: 66.4?2

Experimental Properties

  • Boiling Point: °Cat760mmHg
  • Flash Point: °C

1-Propanaminium,3-carboxy-N,N,N-trimethyl-2-[(1-oxo-2-propylpentyl)oxy]-, inner salt, (2R)- Related Literature

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