| CAS Number | 1157009-93-2 |
| Catalog Number | AG00HD1N(AGN-PC-0WOUMB) |
| Chemical Name | N-(4-Methylphenyl)tetrahydro-2h-pyran-4-amine hydrochloride |
| IUPAC Name | N-(4-methylphenyl)oxan-4-amine |
| InChI | InChI=1S/C12H17NO/c1-10-2-4-11(5-3-10)13-12-6-8-14-9-7-12/h2-5,12-13H,6-9H2,1H3 |
| InChI Key | JXFHFTHMAOWWGR-UHFFFAOYSA-N |
| MDL Number | MFCD12087595 |
| Molecular Formula | C12H17NO |
| Molecular Weight | 191.2695 |
| SMILES | CC1=CC=C(C=C1)NC2CCOCC2 |
| Synonyms | N-(4-methylphenyl)oxan-4-amine,
1157009-93-2,
N-(4-methylphenyl)tetrahydro-2H-pyran-4-amine hydrochloride,
N-(p-tolyl)tetrahydro-2H-pyran-4-amine,
SCHEMBL178453,
ALBB-013184,
ZINC20367875,
AKOS005173785,
MCULE-5642078225,
Z1271701706,
(4-methylphenyl)tetrahydro-2H-pyran-4-ylamine hydrochloride,
T3593,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.274g/mol |
| Monoisotopic Mass | 191.131g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number