| CAS Number | 1250811-21-2 |
| Catalog Number | AG019S3W(AGN-PC-0WO6DU) |
| Chemical Name | 1-(4-Methylphenyl)piperidin-3-amine |
| IUPAC Name | 1-(4-methylphenyl)piperidin-3-amine |
| InChI | InChI=1S/C12H18N2/c1-10-4-6-12(7-5-10)14-8-2-3-11(13)9-14/h4-7,11H,2-3,8-9,13H2,1H3 |
| InChI Key | FVOMXRHHPMCQHW-UHFFFAOYSA-N |
| MDL Number | MFCD16074652 |
| Molecular Formula | C12H18N2 |
| Molecular Weight | 190.2847 |
| SMILES | CC1=CC=C(N2CC(N)CCC2)C=C1 |
| Synonyms | 1-(4-methylphenyl)piperidin-3-amine,
1250811-21-2,
AKOS010946302,
MCULE-4468471386,
NE22584,
EN300-91685,
Z1263714206,
|
| Complexity | 173 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.29g/mol |
| Monoisotopic Mass | 190.147g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number