Cas no 1492-27-9 (1-Propanaminium,3-carboxy-N,N,N-trimethyl-2-[(1-oxodecyl)oxy]-, inner salt)

1-Propanaminium,3-carboxy-N,N,N-trimethyl-2-[(1-oxodecyl)oxy]-, inner salt structure
1492-27-9 structure
Product Name:1-Propanaminium,3-carboxy-N,N,N-trimethyl-2-[(1-oxodecyl)oxy]-, inner salt
CAS No:1492-27-9
MF:C17H33NO4
MW:315.448225736618
CID:158139
PubChem ID:10245190
Update Time:2025-04-19

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

Names and Identifiers

    • 1-Propanaminium,3-carboxy-N,N,N-trimethyl-2-[(1-oxodecyl)oxy]-, inner salt
    • 2-(1-hydroxy-2-trimethylazaniumylethyl)-3-oxododecanoate
    • 4-Decanoylamino-phenol
    • 4-n-decanoylaminophenol
    • AC1NB8QD
    • CHEMBL227806
    • CTK0J4671
    • Decanamide, N-(4-hydroxyphenyl)-
    • decanoic acid-(4-hydroxy-anilide)
    • decanoyl carnitine
    • Decansaeure-(4-hydroxy-anilid)
    • Decylcarnitin
    • N-(4-hydroxyphenyl)decananamide
    • O-Caprinoyl-carnitin
    • SureCN1133530
    • Decanoylcarnitine
    • O-decanoylcarnitine
    • 2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-keto-laurate
    • CHEMBL3559489
    • CAPRYL-DL-CARNITINE
    • Q27137205
    • (S)-3-(Decanoyloxy)-4-(trimethylammonio)butanoate
    • AMMONIUM, (3-CARBOXY-2-HYDROXYPROPYL)TRIMETHYL-, HYDROXIDE, INNER SALT, DECANOATE
    • CHEBI:68830
    • 1492-27-9
    • DECANOYLCAR
    • UNII-VGK89VE61S
    • starbld0014185
    • LMFA07070059
    • (+/-)-decanoylcarnitine
    • VGK89VE61S
    • Acylcarnitine C10:0
    • 3-decanoyloxy-4-(trimethylazaniumyl)butanoate
    • N,N,N-TRIMETHYL-2-(DECANOYLOXY)-3-CARBOXYLATO-1-PROPANEAMINIUM DECANOYL-DL-CARNITINE
    • 3-(decanoyloxy)-4-(trimethylammonio)butanoate
    • 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-((1-oxodecyl)oxy)-, inner salt
    • DECANOYL-(+/-)-CARNITINE
    • DECANOIC ACID, ESTER WITH (3-CARBOXY-2-HYDROXYPROPYL)TRIMETHYLAMMONIUM HYDROXIDE INNER SALT
    • AC(10:0)
    • O-DECANOYLCARNITINE, DL
    • SCHEMBL234694
    • Decanoyl-DL-carnitine
    • DECANOYLCARNITINE, (+/-)-
    • J3.017.380E
    • 3-(decanoyloxy)-4-(trimethylazaniumyl)butanoate
    • (3-CARBOXY-2-HYDROXYPROPYL)TRIMETHYLAMMONIUM HYDROXIDE, INNER SALT, DECANOATE
    • 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-[(1-oxodecyl)oxy]-, inner salt
    • Inchi： 1S/C17H33NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4/h15H,5-14H2,1-4H3
    • InChI Key： LZOSYCMHQXPBFU-UHFFFAOYSA-N
    • SMILES： O(C(CCCCCCCCC)=O)C(CC(=O)[O-])C[N+](C)(C)C

Computed Properties

  • Exact Mass: 315.24109
  • Monoisotopic Mass: 315.240959
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 12
  • Complexity: 331
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 77.4
  • XLogP3: 4.5

Experimental Properties

  • Density: g/cm3
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 66.43

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

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