| CAS Number | 98959-55-8 |
| Catalog Number | AG01FMBU(AGN-PC-3H5MF1) |
| Chemical Name | 4-amino-2-(propan-2-yl)phenol hydrochloride |
| IUPAC Name | 4-amino-2-propan-2-ylphenol;hydrochloride |
| InChI | InChI=1S/C9H13NO.ClH/c1-6(2)8-5-7(10)3-4-9(8)11;/h3-6,11H,10H2,1-2H3;1H |
| InChI Key | FGUHBALMKUBTFI-UHFFFAOYSA-N |
| MDL Number | MFCD30486217 |
| Molecular Formula | C9H14ClNO |
| Molecular Weight | 187.6666 |
| SMILES | Cl.CC(C)C1=C(O)C=CC(N)=C1 |
| Synonyms | 4-amino-2-(propan-2-yl)phenol hydrochloride,
98959-55-8,
MFCD16997107,
AKOS032470214,
F8884-9982,
|
| Complexity | 125 |
| 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 | 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