| CAS Number | 336190-16-0 |
| Catalog Number | AG01B1ML(AGN-PC-03HEPF) |
| Chemical Name | 4-bromo-N-methyl-N-phenylaniline |
| IUPAC Name | 4-bromo-N-methyl-N-phenylaniline |
| InChI | InChI=1S/C13H12BrN/c1-15(12-5-3-2-4-6-12)13-9-7-11(14)8-10-13/h2-10H,1H3 |
| InChI Key | MKKXGDGGJNGLQP-UHFFFAOYSA-N |
| MDL Number | MFCD20919940 |
| Molecular Formula | C13H12BrN |
| Molecular Weight | 262.1451 |
| SMILES | CN(C1=CC=CC=C1)C2=CC=C(C=C2)Br |
| Synonyms | 4-bromo-N-methyl-N-phenylaniline,
336190-16-0,
SCHEMBL3181372,
MKKXGDGGJNGLQP-UHFFFAOYSA-N,
ZINC95915788,
AKOS033662374,
NE35472,
N-(4-bromophenyl)-N-methyl-phenylamine,
N-(4-Bromophenyl)-N-phenyl-N-methylamine,
Z1913645795,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.15g/mol |
| Monoisotopic Mass | 261.015g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 3.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number