| CAS Number | 2044714-53-4 |
| Catalog Number | AG01BUWG |
| Chemical Name | 5-methyl-2-HOBA (hydrochloride) |
| IUPAC Name | 2-(aminomethyl)-4-methylphenol;hydrochloride |
| InChI | InChI=1S/C8H11NO.ClH/c1-6-2-3-8(10)7(4-6)5-9;/h2-4,10H,5,9H2,1H3;1H |
| InChI Key | LGZMHQAGNDIBJV-UHFFFAOYSA-N |
| MDL Number | MFCD30476194 |
| Molecular Formula | C8H12ClNO |
| Molecular Weight | 173.6400 |
| SMILES | Cl.NCC1=C(C=CC(=C1)C)O |
| Synonyms | 2-(aminomethyl)-4-methylphenol hydrochloride,
2044714-53-4,
|
| Complexity | 105 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.64g/mol |
| Monoisotopic Mass | 173.061g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number