1-Propanone, 1-(4,5,6,7-tetrahydro-1-phenyl-1H-indazol-3-yl)-3-(dimethylamino)-, monohydrochloride
Basic information
- CAS
21484-32-2- Standard SMILES
CN(C)CCC(=O)c1nn(-c2ccccc2)c2c1CCCC2.Cl- InChIKey
WKNKUQXDHRMIDU-UHFFFAOYSA-N- Molecular formula
- C18H24ClN3O
- Average molar mass
- 333.9 g/mol
- Monoisotopic mass
- 333.1607901
Names & identifiers
- Preferred name
- 1-Propanone, 1-(4,5,6,7-tetrahydro-1-phenyl-1H-indazol-3-yl)-3-(dimethylamino)-, monohydrochloride
- IUPAC
- 3-(dimethylamino)-1-(1-phenyl-4,5,6,7-tetrahydroindazol-3-yl)propan-1-one;hydrochloride
Names & synonyms
Poli 7121484-32-21-Propanone, 1-(4,5,6,7-tetrahydro-1-phenyl-1H-indazol-3-yl)-3-(dimethylamino)-, monohydrochlorideDTXSID801757651-(4,5,6,7-Tetrahydro-1-phenyl-1H-indazol-3-yl)-3-(dimethylamino)-1-propanone hydrochloride3-(Dimethylamino)-1-(4,5,6,7-tetrahydro-1-phenyl-1H-indazol-3-yl)-1-propanone hydrochlorideRefChem:234809DTXCID10982563-(Dimethylamino)-1-(1-phenyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one hydrochloride3-(Dimethylamino)-1-(1-phenyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one--hydrogen chloride (1/1)
Database identifiers
- CAS
21484-32-2- PubChem CID
- 210651
- DTXSID
DTXSID80175765
Properties
Computed structural properties
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 379
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Compound notes
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