| CAS Number | 1609406-47-4 |
| Catalog Number | AG00J2BK |
| Chemical Name | 1,4,5,6,7,8-hexahydropyrazolo[3,4-d]azepin-3-ol dihydrochloride |
| IUPAC Name | 2,4,5,6,7,8-hexahydro-1H-pyrazolo[3,4-d]azepin-3-one;dihydrochloride |
| InChI | InChI=1S/C7H11N3O.2ClH/c11-7-5-1-3-8-4-2-6(5)9-10-7;;/h8H,1-4H2,(H2,9,10,11);2*1H |
| InChI Key | GDBMAABVFDZGKH-UHFFFAOYSA-N |
| MDL Number | MFCD26959632 |
| Molecular Formula | C7H13Cl2N3O |
| Molecular Weight | 226.1036 |
| SMILES | C12CCNCCC=1NN=C2O.Cl.Cl |
| Synonyms | 1,4,5,6,7,8-Hexahydropyrazolo[3,4-d]azepin-3-ol dihydrochloride,
1609406-47-4,
ZX-CM008920,
MFCD26959632,
1256643-60-3,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.101g/mol |
| Monoisotopic Mass | 225.044g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 53.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number