| CAS Number | 298185-50-9 |
| Catalog Number | AG01AVMO(AGN-PC-040SLP) |
| Chemical Name | 3-Bromo-4-methyl-N-(propan-2-yl)aniline |
| IUPAC Name | 3-bromo-4-methyl-N-propan-2-ylaniline |
| InChI | InChI=1S/C10H14BrN/c1-7(2)12-9-5-4-8(3)10(11)6-9/h4-7,12H,1-3H3 |
| InChI Key | OAIZUIJUSWRJEM-UHFFFAOYSA-N |
| MDL Number | MFCD11938420 |
| Molecular Formula | C10H14BrN |
| Molecular Weight | 228.1289 |
| SMILES | CC(NC1=CC=C(C)C(Br)=C1)C |
| Synonyms | 3-bromo-4-methyl-N-(propan-2-yl)aniline,
298185-50-9,
SCHEMBL5374248,
OAIZUIJUSWRJEM-UHFFFAOYSA-N,
ZINC32015518,
AKOS012637762,
(3-Bromo-4-methyl-phenyl)-isopropyl-amine,
N,N-(3-bromo-4-methylphenyl)isopropylamine,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.133g/mol |
| Monoisotopic Mass | 227.031g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number