| CAS Number | 1955507-38-6 |
| Catalog Number | AG01B5PD |
| Chemical Name | 1-(1,4-diazepan-1-yl)-3-methylbutan-1-one hydrochloride |
| IUPAC Name | 1-(1,4-diazepan-1-yl)-3-methylbutan-1-one;hydrochloride |
| InChI | InChI=1S/C10H20N2O.ClH/c1-9(2)8-10(13)12-6-3-4-11-5-7-12;/h9,11H,3-8H2,1-2H3;1H |
| InChI Key | DUCZTQGWFCMLLN-UHFFFAOYSA-N |
| MDL Number | MFCD30181182 |
| Molecular Formula | C10H21ClN2O |
| Molecular Weight | 220.7395 |
| SMILES | Cl.CC(CC(N1CCNCCC1)=O)C |
| Synonyms | 1-(1,4-diazepan-1-yl)-3-methylbutan-1-one hydrochloride,
1955507-38-6,
|
| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.134g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.741g/mol |
| Monoisotopic Mass | 220.134g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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