Basic information
- CAS
73941-24-9- Standard SMILES
COc1ccc(C(C)CC(N)=O)cc1OC- InChIKey
QPKFTACDOTUDHL-UHFFFAOYSA-N- Molecular formula
- C12H17NO3
- Average molar mass
- 223.27 g/mol
- Monoisotopic mass
- 223.1208434
Names & identifiers
- Preferred name
- 3-(3,4-Dimethoxyphenyl)butanimidic acid
- IUPAC
- 3-(3,4-dimethoxyphenyl)butanamide
- English name
- 3-(3,4-Dimethoxyphenyl)butyramide
- Molecular formula
- C12H17NO3
- Molecular weight
- 223.27
Names & synonyms
73941-24-9DTXSID509951593-(3,4-Dimethoxyphenyl)butanimidic acidRefChem:1066654DTXCID201422188BRN 3309419Propionamide, 3-(3,4-dimethoxyphenyl)-3-methyl-HYDROCINNAMAMIDE, 3,4-DIMETHOXY-beta-METHYL-3-10-00-01554 (Beilstein Handbook Reference)SCHEMBL16973468n -(3,4-dimethoxyphenylethyl)acetamide3-(3,4-Dimethoxyphenyl)butyramide
Show more names
Benzenepropanamide, 3,4-dimethoxy-β-methyl-
Database identifiers
- CAS
73941-24-9- PubChem CID
- 52808
- DTXSID
DTXSID50995159- Nikkaji
- J77.812E
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Melting point
- 131 °C · 131 °C
- Boiling point
- 402.1 · 402.1±45.0 °C(Predicted)
- Density
- 1.09 · 1.090±0.06 g/cm3(Predicted)
- pka
- 16.37 · 16.37±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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