| CAS Number | 1380041-91-7 |
| Catalog Number | AG01C2C8 |
| Chemical Name | 2-amino-3-(3,4-dimethylphenyl)propan-1-ol hydrochloride |
| IUPAC Name | 2-amino-3-(3,4-dimethylphenyl)propan-1-ol;hydrochloride |
| InChI | InChI=1S/C11H17NO.ClH/c1-8-3-4-10(5-9(8)2)6-11(12)7-13;/h3-5,11,13H,6-7,12H2,1-2H3;1H |
| InChI Key | ORBYJDQJXWDELS-UHFFFAOYSA-N |
| MDL Number | MFCD08454830 |
| Molecular Formula | C11H18ClNO |
| Molecular Weight | 215.7197 |
| SMILES | Cl.CC1=C(C)C=C(CC(CO)N)C=C1 |
| Synonyms | 1380041-91-7,
2-amino-3-(3,4-dimethylphenyl)propan-1-ol hydrochloride,
Z2255081939,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.721g/mol |
| Monoisotopic Mass | 215.108g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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