| CAS Number | 1221723-45-0 |
| Catalog Number | AG01A868 |
| Chemical Name | [3,4-dimethoxy-5-(prop-2-en-1-yl)phenyl]methanamine hydrochloride |
| IUPAC Name | (3,4-dimethoxy-5-prop-2-enylphenyl)methanamine;hydrochloride |
| InChI | InChI=1S/C12H17NO2.ClH/c1-4-5-10-6-9(8-13)7-11(14-2)12(10)15-3;/h4,6-7H,1,5,8,13H2,2-3H3;1H |
| InChI Key | FLIIOOXCSBTQGQ-UHFFFAOYSA-N |
| MDL Number | MFCD15209637 |
| Molecular Formula | C12H18ClNO2 |
| Molecular Weight | 243.7298 |
| SMILES | Cl.COC1=C(OC)C(CC=C)=CC(CN)=C1 |
| Synonyms | [3,4-dimethoxy-5-(prop-2-en-1-yl)phenyl]methanamine hydrochloride,
1221723-45-0,
EN300-60845,
AC1Q3C00,
MCULE-5329964699,
NE42614,
Z969560758,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.731g/mol |
| Monoisotopic Mass | 243.103g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number