Basic information
- CAS
84254-91-1- Standard SMILES
CCC(NC(C)C)C(=O)c1ccc(OC)c(OC)c1- InChIKey
GFERGFJYQBZYHH-UHFFFAOYSA-N- Molecular formula
- C15H23NO3
- Average molar mass
- 265.35 g/mol
- Monoisotopic mass
- 265.1677936
Names & identifiers
- Preferred name
- 3',4'-Dimethoxy-2-(isopropylamino)butyrophenone
- IUPAC
- 1-(3,4-dimethoxyphenyl)-2-(propan-2-ylamino)butan-1-one
- English name
- 3',4'-dimethoxy-2-(isopropylamino)butyrophenone
- Molecular formula
- C15H23NO3
- Molecular weight
- 265.34802
Names & synonyms
84254-91-1EINECS 282-537-23',4'-Dimethoxy-2-(isopropylamino)butyrophenoneGFERGFJYQBZYHH-UHFFFAOYSA-N1-(3,4-Dimethoxyphenyl)-2-[(propan-2-yl)amino]butan-1-oneDTXSID001004516NS000587271-(3,4-Dimethoxyphenyl)-2-[(1-methylethyl)amino]-1-butanone
Database identifiers
- CAS
84254-91-1- PubChem CID
- 3019783
- DTXSID
DTXSID001004516- EC Number
- 282-537-2
- Nikkaji
- J297.579C
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 281
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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