| CAS Number | 1037090-12-2 |
| Catalog Number | AG01BEE3 |
| Chemical Name | [(4-Bromo-2-methylphenyl)methyl](methyl)amine |
| IUPAC Name | 1-(4-bromo-2-methylphenyl)-N-methylmethanamine |
| InChI | InChI=1S/C9H12BrN/c1-7-5-9(10)4-3-8(7)6-11-2/h3-5,11H,6H2,1-2H3 |
| InChI Key | MHVZVOSJOVHTAC-UHFFFAOYSA-N |
| MDL Number | MFCD12096719 |
| Molecular Formula | C9H12BrN |
| Molecular Weight | 214.1023 |
| SMILES | c1(c(ccc(c1)Br)CNC)C |
| Synonyms | [(4-bromo-2-methylphenyl)methyl](methyl)amine,
1037090-12-2,
SCHEMBL8164579,
ZINC36830343,
NE40090,
|
| 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 |
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