1-(3,4-Dichlorophenyl)-4-((dimethylamino)methyl) 1-nonen-3-one
Basic information
- CAS
51469-47-7- Standard SMILES
CCCCCC(CN(C)C)C(=O)/C=C/c1ccc(Cl)c(Cl)c1.Cl- InChIKey
KNSPININSLCXHW-LBEJWNQZSA-N- Molecular formula
- C18H26Cl3NO
- Average molar mass
- 378.8 g/mol
- Monoisotopic mass
- 377.107998
Overview
RN given refers to HCl; structure
Names & identifiers
- Preferred name
- 1-(3,4-Dichlorophenyl)-4-((dimethylamino)methyl) 1-nonen-3-one
- IUPAC
- (E)-1-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]non-1-en-3-one;hydrochloride
Names & synonyms
1-(3,4-Dichlorophenyl)-4-((dimethylamino)methyl) 1-nonen-3-one69489-30-1RefChem:74229NSC1432991-(3,4-Dichlorophenyl)-4-((dimethylamino)methyl)-1-nonen-3-one hydrochlorideNSC-143299(E)-1-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]non-1-en-3-one;hydrochloride1-Nonen-3-one, 1-(3,4-dichlorophenyl)-4-((dimethylamino)methyl)-, hydrochloride
Database identifiers
- CAS
51469-47-7、69489-30-1- PubChem CID
- 6440102
Properties
Computed structural properties
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 357
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Compound notes
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