| CAS Number | 2089255-96-7 |
| Catalog Number | AG01E7D2 |
| Chemical Name | methyl[1-(3-methylphenyl)propan-2-yl]amine hydrochloride |
| IUPAC Name | N-methyl-1-(3-methylphenyl)propan-2-amine;hydrochloride |
| InChI | InChI=1S/C11H17N.ClH/c1-9-5-4-6-11(7-9)8-10(2)12-3;/h4-7,10,12H,8H2,1-3H3;1H |
| InChI Key | KCOUYQQOOVSBED-UHFFFAOYSA-N |
| MDL Number | MFCD29036940 |
| Molecular Formula | C11H18ClN |
| Molecular Weight | 199.7203 |
| SMILES | Cl.CNC(CC1=CC(C)=CC=C1)C |
| Synonyms | methyl[1-(3-methylphenyl)propan-2-yl]amine hydrochloride,
Z2756841914,
2089255-96-7,
|
| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.113g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.722g/mol |
| Monoisotopic Mass | 199.113g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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