| CAS Number | 20218-51-3 |
| Catalog Number | AG01BRPS |
| Chemical Name | methyl[(1S)-1-(2-methylphenyl)ethyl]amine |
| IUPAC Name | (1S)-N-methyl-1-(2-methylphenyl)ethanamine |
| InChI | InChI=1S/C10H15N/c1-8-6-4-5-7-10(8)9(2)11-3/h4-7,9,11H,1-3H3/t9-/m0/s1 |
| InChI Key | ZQVYRJXZAWZERP-VIFPVBQESA-N |
| MDL Number | MFCD09825565 |
| Molecular Formula | C10H15N |
| Molecular Weight | 149.2328 |
| SMILES | CN[C@H](C1=C(C)C=CC=C1)C |
| Synonyms | methyl[(1S)-1-(2-methylphenyl)ethyl]amine,
20218-51-3,
ZINC21954762,
AKOS017407926,
|
| Complexity | 111 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 149.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 149.237g/mol |
| Monoisotopic Mass | 149.12g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number