| CAS Number | 1262771-70-9 |
| Catalog Number | AG00J128 |
| Chemical Name | (1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylmethyl)amine dihydrochloride |
| IUPAC Name | 1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylmethanamine;dihydrochloride |
| InChI | InChI=1S/C9H15N3.2ClH/c10-6-9-7-4-2-1-3-5-8(7)11-12-9;;/h1-6,10H2,(H,11,12);2*1H |
| InChI Key | KLHYYIDOHMBNOC-UHFFFAOYSA-N |
| MDL Number | MFCD13186031 |
| Molecular Formula | C9H17Cl2N3 |
| Molecular Weight | 238.1574 |
| SMILES | N1=C(CN)C2=C(CCCCC2)N1.Cl.Cl |
| Synonyms | (1,4,5,6,7,8-Hexahydrocyclohepta[c]pyrazol-3-ylmethyl)amine dihydrochloride,
1262771-70-9,
ZX-CM002611,
MFCD13186031,
4003914-25G,
4003914-50G,
(1,4,5,6,7,8-Hexahydrocyclohepta[c]pyrazol-3-ylmethyl)amine dihydrochloride, AldrichCPR,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.156g/mol |
| Monoisotopic Mass | 237.08g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number