| CAS Number | 953745-28-3 |
| Catalog Number | AG019MLI |
| Chemical Name | 4-chloro-2-(2,6-dimethylpiperidine-1-carbonyl)aniline |
| IUPAC Name | (2-amino-5-chlorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone |
| InChI | InChI=1S/C14H19ClN2O/c1-9-4-3-5-10(2)17(9)14(18)12-8-11(15)6-7-13(12)16/h6-10H,3-5,16H2,1-2H3 |
| InChI Key | NLBAGVYULQARLP-UHFFFAOYSA-N |
| MDL Number | MFCD09730900 |
| Molecular Formula | C14H19ClN2O |
| Molecular Weight | 266.7665 |
| SMILES | CC1N(C(C2=C(N)C=CC(Cl)=C2)=O)C(C)CCC1 |
| Synonyms | 4-chloro-2-(2,6-dimethylpiperidine-1-carbonyl)aniline,
953745-28-3,
4-chloro-2-[(2,6-dimethylpiperidin-1-yl)carbonyl]aniline,
AC1Q2QYR,
CTK6C1744,
AKOS000142050,
MCULE-8478532960,
NE22149,
EN300-36524,
|
| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.119g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.769g/mol |
| Monoisotopic Mass | 266.119g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number