| CAS Number | 1380002-76-5 |
| Catalog Number | AG01B1C6 |
| Chemical Name | 2-amino-3-(4-methylphenyl)propan-1-ol hydrochloride |
| IUPAC Name | 2-amino-3-(4-methylphenyl)propan-1-ol;hydrochloride |
| InChI | InChI=1S/C10H15NO.ClH/c1-8-2-4-9(5-3-8)6-10(11)7-12;/h2-5,10,12H,6-7,11H2,1H3;1H |
| InChI Key | MHWWVRGBLDLMQZ-UHFFFAOYSA-N |
| MDL Number | MFCD08454727 |
| Molecular Formula | C10H16ClNO |
| Molecular Weight | 201.6931 |
| SMILES | Cl.CC1=CC=C(CC(CO)N)C=C1 |
| Synonyms | 2-amino-3-(4-methylphenyl)propan-1-ol hydrochloride,
1380002-76-5,
MCULE-4779951404,
NE35248,
Z1800620539,
|
| Complexity | 119 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.694g/mol |
| Monoisotopic Mass | 201.092g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number