| CAS Number | 139144-12-0 |
| Catalog Number | AG01CBZY(AGN-PC-0PNX3I) |
| Chemical Name | 1-Propanaminium,3-carboxy-N,N,N-trimethyl-2-(3-methyl-1-oxobutoxy)-, chloride, (2R)- |
| IUPAC Name | [(2R)-3-carboxy-2-(3-methylbutanoyloxy)propyl]-trimethylazanium;chloride |
| InChI | InChI=1S/C12H23NO4.ClH/c1-9(2)6-12(16)17-10(7-11(14)15)8-13(3,4)5;/h9-10H,6-8H2,1-5H3;1H/t10-;/m1./s1 |
| InChI Key | HWDFIOSIRGUUSM-HNCPQSOCSA-N |
| MDL Number | MFCD09263554 |
| Molecular Formula | C12H24ClNO4 |
| Molecular Weight | 281.7763 |
| SMILES | OC(C[C@@H](OC(CC(C)C)=O)C[N+](C)(C)C)=O.[Cl-] |
| Synonyms | SCHEMBL9465312,
139144-12-0,
isovaleryl l-carnitine chloride,
|
| Complexity | 268 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.139386g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.77g/mol |
| Monoisotopic Mass | 281.139386g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 63.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number