Cas no 32886-14-9 (1-Propanaminium,2-[(2-bromo-1-oxohexadecyl)oxy]-3-carboxy-N,N,N-trimethyl-, inner salt)
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
1-Propanaminium,2-[(2-bromo-1-oxohexadecyl)oxy]-3-carboxy-N,N,N-trimethyl-, inner salt Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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