| CAS Number | 852534-22-6 |
| Catalog Number | AG00G9ER(AGN-PC-0WQUMI) |
| Chemical Name | 4,4'-Dibromo-4''-tert-butyltriphenylamine |
| IUPAC Name | N,N-bis(4-bromophenyl)-4-tert-butylaniline |
| InChI | InChI=1S/C22H21Br2N/c1-22(2,3)16-4-10-19(11-5-16)25(20-12-6-17(23)7-13-20)21-14-8-18(24)9-15-21/h4-15H,1-3H3 |
| InChI Key | KKLLWAUOZGXWDN-UHFFFAOYSA-N |
| MDL Number | MFCD30725752 |
| Molecular Formula | C22H21Br2N |
| Molecular Weight | 459.2168 |
| SMILES | BrC1=CC=C(N(C2=CC=C(Br)C=C2)C3=CC=C(C(C)(C)C)C=C3)C=C1 |
| Synonyms | 4,4'-Dibromo-4''-tert-butyltriphenylamine,
N,N-bis(4-bromophenyl)-4-tert-butylaniline,
852534-22-6,
SCHEMBL4263451,
D5330,
|
| Complexity | 373 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 459.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 459.225g/mol |
| Monoisotopic Mass | 457.004g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 3.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 8.2 |
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Certificate of Analysis
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