Butyrophenone, 2-((hexahydro-1H-azepin-1-yl)methyl)-4'-methyl-, hydrochloride
Basic information
- CAS
111443-80-2- Standard SMILES
CCC(C[NH+]1CCCCCC1)C(=O)c1ccc(C)cc1.[Cl-]- InChIKey
HZRIDNJQJALIEA-UHFFFAOYSA-N- Molecular formula
- C18H28ClNO
- Average molar mass
- 309.9 g/mol
- Monoisotopic mass
- 309.1859422
Names & identifiers
- Preferred name
- Butyrophenone, 2-((hexahydro-1H-azepin-1-yl)methyl)-4'-methyl-, hydrochloride
- IUPAC
- 2-(azepan-1-ium-1-ylmethyl)-1-(4-methylphenyl)butan-1-one chloride
Names & synonyms
TG-142-((Hexahydro-1H-azepin-1-yl)methyl)-4'-methylbutyrophenone hydrochloride111443-80-2BUTYROPHENONE, 2-((HEXAHYDRO-1H-AZEPIN-1-YL)METHYL)-4'-METHYL-, HYDROCHLORIDERefChem:331374
Database identifiers
- CAS
111443-80-2- PubChem CID
- 60494
Properties
Computed structural properties
- Topological polar surface area
- 21.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 286
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…