1-(3,4-Dimethoxyphenyl)-3-(dimethylamino)propan-1-one
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Basic information
- CAS
1568-01-0- Standard SMILES
COc1ccc(C(=O)CCN(C)C)cc1OC- InChIKey
HSSNCUJHRGPSFH-UHFFFAOYSA-N- Molecular formula
- C13H19NO3
- Average molar mass
- 237.29 g/mol
- Monoisotopic mass
- 237.13649347
Names & identifiers
- Preferred name
- 1-(3,4-Dimethoxyphenyl)-3-(dimethylamino)propan-1-one
- IUPAC
- 1-(3,4-dimethoxyphenyl)-3-(dimethylamino)propan-1-one
- English name
- 1-(3,4-Dimethoxy-phenyl)-3-dimethylamino-propan-1-one
- Molecular formula
- C13H19NO3
- Molecular weight
- 237.29
Names & synonyms
1-(3,4-dimethoxyphenyl)-3-(dimethylamino)propan-1-one1568-01-01-(3,4-dimethoxy-phenyl)-3-dimethylamino-propan-1-one1-(3,4-Dimethoxyphenyl)-3-(dimethylamino)propan-1-one--hydrogen chloride (1/1)3,4-dimethoxyphenyl-3-(dimethylamino)propan-1-oneCHEMBL4590251SCHEMBL14484936HSSNCUJHRGPSFH-UHFFFAOYSA-NSTK665793AKOS005536463ST0869514-(3-dimethylaminopropionyl)-1,2-dimethoxybenzene
Show more names
1-(3,4-dimethoxyphenyl)-3-(dimethylamino)-1-propanone1-Propanone, 1-(3,4-dimethoxyphenyl)-3-(dimethylamino)-
AE-641/00202019
Database identifiers
- CAS
1568-01-0- PubChem CID
- 211864
- ChEMBL
CHEMBL4590251- Nikkaji
- J963.073B
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 243
Physicochemical properties
- Boiling point
- 136 °C · 136 °C(Press: 0.2 Torr)
- Density
- 1.051 · 1.051±0.06 g/cm3(Predicted)
- pka
- 8.77 · 8.77±0.28(Predicted)
Related reactions
3 records
Compound notes
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