| CAS Number | 1823050-64-1 |
| Catalog Number | AG00I178(AGN-PC-0WR2MD) |
| Chemical Name | 1,5-DIAZOCAN-3-ONE 2HCL |
| IUPAC Name | 1,5-diazocan-3-one;dihydrochloride |
| InChI | InChI=1S/C6H12N2O.2ClH/c9-6-4-7-2-1-3-8-5-6;;/h7-8H,1-5H2;2*1H |
| InChI Key | CMJNRBOAXVDIQE-UHFFFAOYSA-N |
| MDL Number | MFCD22690650 |
| Molecular Formula | C6H14Cl2N2O |
| Molecular Weight | 201.0942 |
| SMILES | Cl.Cl.O=C1CNCCCNC1 |
| Synonyms | 1,5-Diazocan-3-one 2HCl,
1823050-64-1,
1,5-Diazocan-3-one dihydrochloride,
MFCD22690650,
AS-40706,
|
| Complexity | 93.2 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.091g/mol |
| Monoisotopic Mass | 200.048g/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