Cas no 61102-30-5 (1-Undecanaminium,11-[1-(carboxymethyl)-2-(trimethylammonio)ethoxy]-N,N,N-trimethyl-11-oxo-,mono(inner salt), (R)- (9CI))

1-Undecanaminium,11-[1-(carboxymethyl)-2-(trimethylammonio)ethoxy]-N,N,N-trimethyl-11-oxo-,mono(inner salt), (R)- (9CI) structure
61102-30-5 structure
Product Name:1-Undecanaminium,11-[1-(carboxymethyl)-2-(trimethylammonio)ethoxy]-N,N,N-trimethyl-11-oxo-,mono(inner salt), (R)- (9CI)
CAS No:61102-30-5
MF:C21H43N2O4
MW:387.577126741409
CID:506839
PubChem ID:194120
Update Time:2025-04-19

1-Undecanaminium,11-[1-(carboxymethyl)-2-(trimethylammonio)ethoxy]-N,N,N-trimethyl-11-oxo-,mono(inner salt), (R)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 1-Undecanaminium,11-[1-(carboxymethyl)-2-(trimethylammonio)ethoxy]-N,N,N-trimethyl-11-oxo-,mono(inner salt), (R)- (9CI)
    • (3R)-4-(trimethylazaniumyl)-3-[11-(trimethylazaniumyl)undecanoyloxy]butanoate
    • 11-trimethylaminoundecanoyl-L-carnitine
    • Inchi： 1S/C21H43N2O4/c1-22(2,3)16-14-12-10-8-7-9-11-13-15-21(26)27-19(17-20(24)25)18-23(4,5)6/h19H,7-18H2,1-6H3/q+1/t19-/m1/s1
    • InChI Key： BROJABVNXZXIBQ-LJQANCHMSA-N
    • SMILES： O(C(CCCCCCCCCC[N+](C)(C)C)=O)[C@H](CC(=O)[O-])C[N+](C)(C)C

Computed Properties

  • Exact Mass: 387.32249
  • Monoisotopic Mass: 387.322283
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 16
  • Complexity: 419
  • 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
  • Topological Polar Surface Area: 66.4
  • XLogP3: 4.1

Experimental Properties

  • PSA: 66.43

1-Undecanaminium,11-[1-(carboxymethyl)-2-(trimethylammonio)ethoxy]-N,N,N-trimethyl-11-oxo-,mono(inner salt), (R)- (9CI) Related Literature

Related Categories

61102-30-5 (1-Undecanaminium,11-[1-(carboxymethyl)-2-(trimethylammonio)ethoxy]-N,N,N-trimethyl-11-oxo-,mono(inner salt), (R)- (9CI)) Related Products

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