| CAS Number | 1044771-99-4 |
| Catalog Number | AG008Z9Q(AGN-PC-0WR3BW) |
| Chemical Name | 5-Bromo-N4-methylpyridine-3,4-diamine |
| IUPAC Name | 5-bromo-4-N-methylpyridine-3,4-diamine |
| InChI | InChI=1S/C6H8BrN3/c1-9-6-4(7)2-10-3-5(6)8/h2-3H,8H2,1H3,(H,9,10) |
| InChI Key | CEEXBFOWCDXSEN-UHFFFAOYSA-N |
| MDL Number | MFCD11046883 |
| Molecular Formula | C6H8BrN3 |
| Molecular Weight | 202.0518 |
| SMILES | BrC=1C(=C(C=NC1)N)NC |
| Synonyms | 5-Bromo-N4-methylpyridine-3,4-diamine,
1044771-99-4,
5-Bromo-N4-methyl-pyridine-3,4-diamine,
SCHEMBL16765194,
DTXSID80647972,
MFCD11046883,
ZINC42750178,
5-Bromo-N~4~-methylpyridine-3,4-diamine,
607373-24-0,
|
| Complexity | 109 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.055g/mol |
| Monoisotopic Mass | 200.99g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number