2-Propen-1-one, 2-((dimethylamino)methyl)-1-phenyl-, hydrochloride
Basic information
- CAS
100595-96-8- Standard SMILES
C=C(CN(C)C)C(=O)c1ccccc1.Cl- InChIKey
SLQVHPCGONHBGQ-UHFFFAOYSA-N- Molecular formula
- C12H16ClNO
- Average molar mass
- 225.71 g/mol
- Monoisotopic mass
- 225.0920418
Names & identifiers
- Preferred name
- 2-Propen-1-one, 2-((dimethylamino)methyl)-1-phenyl-, hydrochloride
- IUPAC
- 2-[(dimethylamino)methyl]-1-phenylprop-2-en-1-one;hydrochloride
Names & synonyms
CCRIS 8957100595-96-82-Propen-1-one, 2-((dimethylamino)methyl)-1-phenyl-, hydrochloride1-Phenyl-2-dimethylaminomethyl-2-propen-1-one hydrochloride2-((Dimethylamino)methyl)-1-phenyl-2-propen-1-one hydrochlorideDTXSID50143416RefChem:266134DTXCID8065907CHEMBL468975SCHEMBL4799828NSC382011NSC-382011
Show more names
2-((DIMETHYLAMINO)METHYL)-1-PHENYL-2-PROPEN-1-ONE HYDROCLORIDE2-[(Dimethylamino)methyl]-1-phenylprop-2-en-1-one--hydrogen chloride (1/1)
Database identifiers
- CAS
100595-96-8- PubChem CID
- 3063374
- DTXSID
DTXSID50143416- ChEMBL
CHEMBL468975
Properties
Computed structural properties
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 214
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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