| CAS Number | 1247375-23-0 |
| Catalog Number | AG019PVH(AGN-PC-0WCK76) |
| Chemical Name | [(3-Bromo-2-methoxyphenyl)methyl](methyl)amine |
| IUPAC Name | 1-(3-bromo-2-methoxyphenyl)-N-methylmethanamine |
| InChI | InChI=1S/C9H12BrNO/c1-11-6-7-4-3-5-8(10)9(7)12-2/h3-5,11H,6H2,1-2H3 |
| InChI Key | GRWGTHXCZOZGMQ-UHFFFAOYSA-N |
| MDL Number | MFCD14656520 |
| Molecular Formula | C9H12BrNO |
| Molecular Weight | 230.1017 |
| SMILES | CNCC1=C(OC)C(Br)=CC=C1 |
| Synonyms | [(3-bromo-2-methoxyphenyl)methyl](methyl)amine,
1247375-23-0,
ZINC42411550,
AKOS008146882,
MCULE-5882966804,
NE58286,
EN300-86582,
A1-00662,
Z1259339803,
|
| Complexity | 132 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.105g/mol |
| Monoisotopic Mass | 229.01g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number