Cas no 32886-14-9 (1-Propanaminium,2-[(2-bromo-1-oxohexadecyl)oxy]-3-carboxy-N,N,N-trimethyl-, inner salt)

1-Propanaminium,2-[(2-bromo-1-oxohexadecyl)oxy]-3-carboxy-N,N,N-trimethyl-, inner salt structure
32886-14-9 structure
Product Name:1-Propanaminium,2-[(2-bromo-1-oxohexadecyl)oxy]-3-carboxy-N,N,N-trimethyl-, inner salt
CAS No:32886-14-9
MF:C23H44BrNO4
MW:478.50376701355
CID:313711
PubChem ID:3082365
Update Time:2025-04-19

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

Names and Identifiers

    • 1-Propanaminium,2-[(2-bromo-1-oxohexadecyl)oxy]-3-carboxy-N,N,N-trimethyl-, inner salt
    • 3-(2-bromohexadecanoyloxy)-4-(trimethylazaniumyl)butanoate
    • 1-Propanaminium, 2-((2-bromo-1-oxohexadecyl)oxy)-3-carboxy-N,N,N-trimethyl-, inner salt, (+-)-
    • SCHEMBL5381687
    • 3-[(2-Bromohexadecanoyl)oxy]-4-(trimethylazaniumyl)butanoate
    • DTXSID30954542
    • 2-Bromopalmitoylcarnitine
    • 32886-14-9
    • 2-Brpcr
    • Inchi: 1S/C23H44BrNO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)23(28)29-20(18-22(26)27)19-25(2,3)4/h20-21H,5-19H2,1-4H3
    • InChI Key: LYHAKRWRNXBZLK-UHFFFAOYSA-N
    • SMILES: BrC(C(=O)OC(CC(=O)[O-])C[N+](C)(C)C)CCCCCCCCCCCCCC

Computed Properties

  • Exact Mass: 477.24552
  • Monoisotopic Mass: 477.245
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 19
  • Complexity: 432
  • 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
  • XLogP3: 8.4
  • Topological Polar Surface Area: 66.4?2

Experimental Properties

  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 66.43
Recommended suppliers
Shaanxi pure crystal photoelectric technology co. LTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shaanxi pure crystal photoelectric technology co. LTD
Shenzhen Yaoyuan R&D Center Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shenzhen Yaoyuan R&D Center Co.,Ltd
Jiangsu Kolod Food Ingredients Co.,ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangsu Kolod Food Ingredients Co.,ltd
Jinan Hanyu Chemical Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jinan Hanyu Chemical Co.,Ltd.
Jinta Yudi Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jinta Yudi Pharmaceutical Technology Co., Ltd.