Butyrophenone, 4'-fluoro-4-(9-methyl-3,9-diazaspiro(5.5)undec-3-yl)-, dihydrochloride
Basic information
- CAS
1164-74-5- Standard SMILES
C[NH+]1CCC2(CC1)CC[NH+](CCCC(=O)c1ccc(F)cc1)CC2.[Cl-].[Cl-]- InChIKey
MHPSVUBTALLMNU-UHFFFAOYSA-N- Molecular formula
- C20H31Cl2FN2O
- Average molar mass
- 405.4 g/mol
- Monoisotopic mass
- 404.1797472
Names & identifiers
- Preferred name
- Butyrophenone, 4'-fluoro-4-(9-methyl-3,9-diazaspiro(5.5)undec-3-yl)-, dihydrochloride
- IUPAC
- 1-(4-fluorophenyl)-4-(9-methyl-3,9-diazoniaspiro[5.5]undecan-3-yl)butan-1-one dichloride
Names & synonyms
Butyrophenone, 4'-fluoro-4-(9-methyl-3,9-diazaspiro(5.5)undec-3-yl)-, dihydrochloride4'-Fluoro-4-(9-methyl-3,9-diazaspiro(5.5)undec-3-yl)butyrophenone dihydrochloride1164-74-5RefChem:331429
Database identifiers
- CAS
1164-74-5- PubChem CID
- 14417
Properties
Computed structural properties
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 402
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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