| CAS Number | 926248-42-2 |
| Catalog Number | AG019VRP |
| Chemical Name | 3-Chloro-4-(2-methylpiperidine-1-carbonyl)aniline |
| IUPAC Name | (4-amino-2-chlorophenyl)-(2-methylpiperidin-1-yl)methanone |
| InChI | InChI=1S/C13H17ClN2O/c1-9-4-2-3-7-16(9)13(17)11-6-5-10(15)8-12(11)14/h5-6,8-9H,2-4,7,15H2,1H3 |
| InChI Key | PPPHIROXFGRYPL-UHFFFAOYSA-N |
| MDL Number | MFCD09043702 |
| Molecular Formula | C13H17ClN2O |
| Molecular Weight | 252.7399 |
| SMILES | CC1N(C(C2=C(Cl)C=C(N)C=C2)=O)CCCC1 |
| Synonyms | 3-chloro-4-(2-methylpiperidine-1-carbonyl)aniline,
926248-42-2,
3-chloro-4-[(2-methylpiperidin-1-yl)carbonyl]aniline,
AC1Q2R2E,
CTK7D6411,
AKOS000103577,
MCULE-3732384924,
NE19461,
EN300-48609,
{3-chloro-4-[(2-methylpiperidin-1-yl)carbonyl]phenyl}amine,
|
| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.742g/mol |
| Monoisotopic Mass | 252.103g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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