| CAS Number | 2060036-05-5 |
| Catalog Number | AG01C00Y |
| Chemical Name | 7,7-dimethyl-1-phenyl-1H,4H,5H,6H,7H,8H-pyrazolo[4,3-c]azepine dihydrochloride |
| IUPAC Name | 7,7-dimethyl-1-phenyl-4,5,6,8-tetrahydropyrazolo[4,3-c]azepine;dihydrochloride |
| InChI | InChI=1S/C15H19N3.2ClH/c1-15(2)8-14-12(9-16-11-15)10-17-18(14)13-6-4-3-5-7-13;;/h3-7,10,16H,8-9,11H2,1-2H3;2*1H |
| InChI Key | NOFCBWWKJMAUJI-UHFFFAOYSA-N |
| MDL Number | MFCD30497765 |
| Molecular Formula | C15H21Cl2N3 |
| Molecular Weight | 314.2533 |
| SMILES | Cl.Cl.CC1(CC2=C(C=NN2C2=CC=CC=C2)CNC1)C |
| Synonyms | 7,7-dimethyl-1-phenyl-1H,4H,5H,6H,7H,8H-pyrazolo[4,3-c]azepine dihydrochloride,
2060036-05-5,
AKOS033982919,
Z2692095129,
|
| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 313.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 314.254g/mol |
| Monoisotopic Mass | 313.111g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number