| CAS Number | 1251326-24-5 |
| Catalog Number | AG01BFB6 |
| Chemical Name | 4-Methyl-3-(piperidine-1-carbonyl)aniline |
| IUPAC Name | (5-amino-2-methylphenyl)-piperidin-1-ylmethanone |
| InChI | InChI=1S/C13H18N2O/c1-10-5-6-11(14)9-12(10)13(16)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8,14H2,1H3 |
| InChI Key | RGSCUGNXAKSOKW-UHFFFAOYSA-N |
| MDL Number | MFCD14618181 |
| Molecular Formula | C13H18N2O |
| Molecular Weight | 218.2948 |
| SMILES | CC1=C(C(N2CCCCC2)=O)C=C(N)C=C1 |
| Synonyms | 4-methyl-3-(piperidine-1-carbonyl)aniline,
1251326-24-5,
SCHEMBL10126592,
ZINC41031648,
AKOS010544975,
Z1889856269,
|
| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.3g/mol |
| Monoisotopic Mass | 218.142g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number