| CAS Number | 1001414-82-9 |
| Catalog Number | AG008RV7 |
| Chemical Name | 5-Bromo-3-pyridinemethanamine dihydrochloride |
| IUPAC Name | (5-bromopyridin-3-yl)methanamine;hydrochloride |
| InChI | InChI=1S/C6H7BrN2.ClH/c7-6-1-5(2-8)3-9-4-6;/h1,3-4H,2,8H2;1H |
| InChI Key | XYGIEVXCKBTMHP-UHFFFAOYSA-N |
| MDL Number | MFCD20923718 |
| Molecular Formula | C6H9BrCl2N2 |
| Molecular Weight | 259.9591 |
| SMILES | Cl.Cl.BrC=1C=C(C=NC1)CN |
| Synonyms | (5-Bromopyridin-3-yl)methanamine hydrochloride,
1001414-82-9,
(5-Bromopyridin-3-yl)methanamine HCl,
1255958-35-0,
DTXSID50856817,
AKOS022173282,
5-Bromo-3-pyridinemethanamine hydrochloride,
AX8281547,
(5-bromopyridin-3-yl)methanamine,dihydrochloride,
1-(5-Bromopyridin-3-yl)methanamine--hydrogen chloride (1/1),
(5-bromopyridin-3-yl)methanamine;hydrochloride,
135124-70-8,
|
| Complexity | 87.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.956g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.498g/mol |
| Monoisotopic Mass | 221.956g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number