| CAS Number | 663943-27-9 |
| Catalog Number | AG00IME7(AGN-PC-03WWQU) |
| Chemical Name | Benzenamine, N,N-bis(4-bromophenyl)-2,4,6-trimethyl- |
| IUPAC Name | N,N-bis(4-bromophenyl)-2,4,6-trimethylaniline |
| InChI | InChI=1S/C21H19Br2N/c1-14-12-15(2)21(16(3)13-14)24(19-8-4-17(22)5-9-19)20-10-6-18(23)7-11-20/h4-13H,1-3H3 |
| InChI Key | XZCBYXUKPMELOQ-UHFFFAOYSA-N |
| MDL Number | MFCD30534245 |
| Molecular Formula | C21H19Br2N |
| Molecular Weight | 445.1903 |
| SMILES | CC1=CC(=C(C(=C1)C)N(C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Br)C |
| Synonyms | N,N-Bis(4-bromophenyl)-2,4,6-trimethylaniline,
663943-27-9,
Bis(4-bromophenyl)mesitylamine,
SCHEMBL1115815,
B5507,
J3.509.902F,
Benzenamine, N,N-bis(4-bromophenyl)-2,4,6-trimethyl-,
Benzenamine,N,N-bis(4-bromophenyl)-2,4,6-trimethyl-,
|
| Complexity | 351 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 444.986g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 445.198g/mol |
| Monoisotopic Mass | 442.988g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 3.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 7.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number