| CAS Number | 68215-43-0 |
| Catalog Number | AG01A0VR |
| Chemical Name | 2-Amino-1-(4-methylphenyl)ethan-1-ol hydrochloride |
| IUPAC Name | 2-amino-1-(4-methylphenyl)ethanol;hydrochloride |
| InChI | InChI=1S/C9H13NO.ClH/c1-7-2-4-8(5-3-7)9(11)6-10;/h2-5,9,11H,6,10H2,1H3;1H |
| InChI Key | YMWQMVMCQBWNSZ-UHFFFAOYSA-N |
| MDL Number | MFCD09028159 |
| Molecular Formula | C9H14ClNO |
| Molecular Weight | 187.6666 |
| SMILES | Cl.CC1=CC=C(C(CN)O)C=C1 |
| Synonyms | 68215-43-0,
2-amino-1-(4-methylphenyl)ethan-1-ol hydrochloride,
2-Amino-1-(p-tolyl)ethanol hydrochloride,
SCHEMBL4784091,
AKOS024462769,
NE47258,
2-Amino-1-(4-methylphenyl)ethanol HCl,
2-Amino-1-p-tolyl-ethanol hydrochloride,
760A020,
(1R)-2-amino-1-(4-methylphenyl)ethan-1-ol hydrochloride,
53360-85-3,
|
| Complexity | 108 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.667g/mol |
| Monoisotopic Mass | 187.076g/mol |
| Rotatable Bond Count | 2 |
| 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