| CAS Number | 1218997-22-8 |
| Catalog Number | AG00HGI2(AGN-PC-0WR37M) |
| Chemical Name | 6-Bromo-n-methylpyridine-3,4-diamine |
| IUPAC Name | 6-bromo-3-N-methylpyridine-3,4-diamine |
| InChI | InChI=1S/C6H8BrN3/c1-9-5-3-10-6(7)2-4(5)8/h2-3,9H,1H3,(H2,8,10) |
| InChI Key | WTJXYGZHIVWLOS-UHFFFAOYSA-N |
| MDL Number | MFCD27942281 |
| Molecular Formula | C6H8BrN3 |
| Molecular Weight | 202.0518 |
| SMILES | CNC1=C(N)C=C(Br)N=C1 |
| Synonyms | 6-bromo-n3-methylpyridine-3,4-diamine,
1218997-22-8,
6-Bromo-N-methylpyridine-3,4-diamine,
SCHEMBL3133119,
WTJXYGZHIVWLOS-UHFFFAOYSA-N,
MFCD27942281,
ZINC143161876,
6-bromo-N3-methyl-pyridine-3,4-diamine,
AS-36379,
|
| 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 | 1.2 |
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Certificate of Analysis
Lot Number