| CAS Number | 1394042-73-9 |
| Catalog Number | AG01A0AH |
| Chemical Name | N-Methyl-4-(propan-2-yl)aniline hydrochloride |
| IUPAC Name | N-methyl-4-propan-2-ylaniline;hydrochloride |
| InChI | InChI=1S/C10H15N.ClH/c1-8(2)9-4-6-10(11-3)7-5-9;/h4-8,11H,1-3H3;1H |
| InChI Key | XTDXCQAFUGBJDH-UHFFFAOYSA-N |
| MDL Number | MFCD22378668 |
| Molecular Formula | C10H16ClN |
| Molecular Weight | 185.6937 |
| SMILES | CC(C1=CC=C(C=C1)NC)C.[H]Cl |
| Synonyms | N-methyl-4-(propan-2-yl)aniline hydrochloride,
1394042-73-9,
SCHEMBL2865053,
MCULE-4933807683,
NE29495,
Z1431904364,
|
| Complexity | 101 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.097g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.695g/mol |
| Monoisotopic Mass | 185.097g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number