| CAS Number | 864754-31-4 |
| Catalog Number | AG00GUVO(AGN-PC-0V5Q89) |
| Chemical Name | 1-(Pyridin-2-yl)-1,4-diazepane dihydrochloride |
| IUPAC Name | 1-pyridin-2-yl-1,4-diazepane;dihydrochloride |
| InChI | InChI=1S/C10H15N3.2ClH/c1-2-6-12-10(4-1)13-8-3-5-11-7-9-13;;/h1-2,4,6,11H,3,5,7-9H2;2*1H |
| InChI Key | KBCBUUCDZBKYQN-UHFFFAOYSA-N |
| MDL Number | MFCD08706077 |
| Molecular Formula | C10H17Cl2N3 |
| Molecular Weight | 250.1681 |
| SMILES | Cl.Cl.C1CN(C2=NC=CC=C2)CCNC1 |
| Synonyms | 864754-31-4,
1-(Pyridin-2-yl)-1,4-diazepane dihydrochloride,
1-PYRIDIN-2-YL-[1,4]DIAZEPANE DIHYDROCHLORIDE,
DTXSID70592280,
AKOS027427720,
1-(Pyridin-2-yl)-1,4-diazepane--hydrogen chloride (1/2),
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.167g/mol |
| Monoisotopic Mass | 249.08g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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