| CAS Number | 149104-95-0 |
| Catalog Number | AG01AWBY(AGN-PC-0236A6) |
| Chemical Name | [(4-Bromo-3-methylphenyl)methyl](methyl)amine |
| IUPAC Name | 1-(4-bromo-3-methylphenyl)-N-methylmethanamine |
| InChI | InChI=1S/C9H12BrN/c1-7-5-8(6-11-2)3-4-9(7)10/h3-5,11H,6H2,1-2H3 |
| InChI Key | SVPWYIIREAOWLM-UHFFFAOYSA-N |
| MDL Number | MFCD15474866 |
| Molecular Formula | C9H12BrN |
| Molecular Weight | 214.1023 |
| SMILES | CNCC1=CC(C)=C(Br)C=C1 |
| Synonyms | (4-Bromo-3-methyl-benzyl)-methyl-amine,
149104-95-0,
[(4-bromo-3-methylphenyl)methyl](methyl)amine,
SCHEMBL9300840,
MFCD15474866,
ZINC82533920,
AKOS015152384,
|
| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.106g/mol |
| Monoisotopic Mass | 213.015g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number