N-Methyl-N-palmitoyltaurine
Basic information
- CAS
95-98-7- Standard SMILES
CCCCCCCCCCCCCCCC(=O)N(C)CCS(=O)(=O)O- InChIKey
VGVRWTPKKMTCFK-UHFFFAOYSA-N- Molecular formula
- C19H39NO4S
- Average molar mass
- 377.6 g/mol
- Monoisotopic mass
- 377.2599799
Names & identifiers
- Preferred name
- N-Methyl-N-palmitoyltaurine
- IUPAC
- 2-[hexadecanoyl(methyl)amino]ethanesulfonic acid
Names & synonyms
N-Methyl-N-palmitoyltaurinePalmitoyl-N-methyl taurine, N-Taurine, N-methyl-N-palmitoyl-UNII-E8C4LHB0S7E8C4LHB0S795-98-7Ethanesulfonic acid, 2-(methyl(1-oxohexadecyl)amino)-N-palmitoyl methyl taurineSCHEMBL413336DTXSID202417162-(N-Methylhexadecanamido)ethane-1-sulfonic acidQ27277005
Database identifiers
- CAS
95-98-7- PubChem CID
- 62522
- DTXSID
DTXSID20241716- UNII
- E8C4LHB0S7
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 17
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 418
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Related reactions
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Compound notes
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