| CAS Number | 1330172-81-0 |
| Catalog Number | AG009FR4(AGN-PC-0WOXQA) |
| Chemical Name | 6-(BUTYLAMINO)-N-(2,6-DIMETHYLPHENYL)HEXANAMIDE (BUPIVACAINE IMPURITY) |
| IUPAC Name | 6-(butylamino)-N-(2,6-dimethylphenyl)hexanamide |
| InChI | InChI=1S/C18H30N2O/c1-4-5-13-19-14-8-6-7-12-17(21)20-18-15(2)10-9-11-16(18)3/h9-11,19H,4-8,12-14H2,1-3H3,(H,20,21) |
| InChI Key | KXUVXFMERBRLDR-UHFFFAOYSA-N |
| MDL Number | MFCD22666239 |
| Molecular Formula | C18H30N2O |
| Molecular Weight | 290.4436 |
| SMILES | C(CCC)NCCCCCC(=O)NC1=C(C=CC=C1C)C |
| Synonyms | 6-(Butylamino)-N-(2,6-dimethylphenyl)hexanamide,
6-(Butylamino)-N-(2,6-dimethylphenyl)hexanamide Hydrochloride,
1330172-81-0,
ZINC65735035,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.236g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.451g/mol |
| Monoisotopic Mass | 290.236g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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Certificate of Analysis
Lot Number