| CAS Number | 1803594-86-6 |
| Catalog Number | AG01B8KI |
| Chemical Name | 1-(5-bromopyridin-2-yl)-4-methyl-1,4-diazepane dihydrochloride |
| IUPAC Name | 1-(5-bromopyridin-2-yl)-4-methyl-1,4-diazepane;dihydrochloride |
| InChI | InChI=1S/C11H16BrN3.2ClH/c1-14-5-2-6-15(8-7-14)11-4-3-10(12)9-13-11;;/h3-4,9H,2,5-8H2,1H3;2*1H |
| InChI Key | MVZLGPJFDCUKBQ-UHFFFAOYSA-N |
| MDL Number | MFCD28246549 |
| Molecular Formula | C11H18BrCl2N3 |
| Molecular Weight | 343.0907 |
| SMILES | Cl.Cl.CN1CCN(C2=NC=C(Br)C=C2)CCC1 |
| Synonyms | 1-(5-bromopyridin-2-yl)-4-methyl-1,4-diazepane dihydrochloride,
1803594-86-6,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 341.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 343.09g/mol |
| Monoisotopic Mass | 341.006g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 19.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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