| CAS Number | 5047-77-8 |
| Catalog Number | AG01BJ0B |
| Chemical Name | (4-hydroxy-3,5-dimethoxyphenyl)methanaminium chloride |
| IUPAC Name | 4-(aminomethyl)-2,6-dimethoxyphenol;hydrochloride |
| InChI | InChI=1S/C9H13NO3.ClH/c1-12-7-3-6(5-10)4-8(13-2)9(7)11;/h3-4,11H,5,10H2,1-2H3;1H |
| InChI Key | BCVZHOXCSLFFBW-UHFFFAOYSA-N |
| MDL Number | MFCD06796304 |
| Molecular Formula | C9H14ClNO3 |
| Molecular Weight | 219.6654 |
| SMILES | OC1=C(OC)C=C(CN)C=C1OC.[H]Cl |
| Synonyms | 4-(aminomethyl)-2,6-dimethoxyphenol hydrochloride,
3,5-Dimethoxy-4-hydroxybenzylamine hydrochloride,
5047-77-8,
AC1Q3C1W,
CTK6J7949,
MFCD06796304,
EN300-57068,
(3,5-Dimethoxy-4-hydroxyphenyl)methylamine hydrochloride,
(4-hydroxy-3,5-dimethoxyphenyl)methanaminium chloride,
|
| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.665g/mol |
| Monoisotopic Mass | 219.066g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number