| CAS Number | 53104-16-8 |
| Catalog Number | AG003ANL(AGN-PC-0NIUPV) |
| Chemical Name | 3-Bromo-N,N,4-trimethylbenzenamine |
| IUPAC Name | 3-bromo-N,N,4-trimethylaniline |
| InChI | InChI=1S/C9H12BrN/c1-7-4-5-8(11(2)3)6-9(7)10/h4-6H,1-3H3 |
| InChI Key | RNEQCYGENLFWKX-UHFFFAOYSA-N |
| MDL Number | MFCD14529603 |
| Molecular Formula | C9H12BrN |
| Molecular Weight | 214.1023 |
| SMILES | BrC=1C=C(C=CC1C)N(C)C |
| Synonyms | 3-Bromo-N,N,4-trimethylaniline,
53104-16-8,
SCHEMBL9939716,
3-Bromo-N,N,4-trimethylbenzenamine,
MFCD14529603,
ZINC36156118,
AKOS017559685,
Benzenamine, 3-bromo-N,N,4-trimethyl-,
Z-2831,
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| Complexity | 125 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.106g/mol |
| Monoisotopic Mass | 213.015g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 3.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number