| CAS Number | 1379165-96-4 |
| Catalog Number | AG01DTDB |
| Chemical Name | 1,5-Diazocan-2-one hydrochloride |
| IUPAC Name | 1,5-diazocan-2-one;hydrochloride |
| InChI | InChI=1S/C6H12N2O.ClH/c9-6-2-5-7-3-1-4-8-6;/h7H,1-5H2,(H,8,9);1H |
| InChI Key | WUKBDDCLAWYMAZ-UHFFFAOYSA-N |
| MDL Number | MFCD20617323 |
| Molecular Formula | C6H13ClN2O |
| Molecular Weight | 164.6332 |
| SMILES | Cl.N1C(CCNCCC1)=O |
| Synonyms | 1,5-Diazocan-2-one hydrochloride,
1379165-96-4,
AKOS027441301,
AX8276439,
|
| Complexity | 103 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.633g/mol |
| Monoisotopic Mass | 164.072g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number