Basic information
- CAS
300825-67-6- Standard SMILES
Cc1ccc(NC(=O)C=Cc2ccc3c(c2)OCO3)cc1C- InChIKey
PFONGEMKAJFFJK-UHFFFAOYSA-N- Molecular formula
- C18H17NO3
- Average molar mass
- 295.3 g/mol
- Monoisotopic mass
- 295.1208434
Names & identifiers
- Preferred name
- 3-(1,3-benzodioxol-5-yl)-N-(3,4-dimethylphenyl)prop-2-enamide
- IUPAC
- 3-(1,3-benzodioxol-5-yl)-N-(3,4-dimethylphenyl)prop-2-enamide
- English name
- 3-(1,3-BENZODIOXOL-5-YL)-N-(3,4-DIMETHYLPHENYL)ACRYLAMIDE
- Molecular formula
- C18H17NO3
- Molecular weight
- 295.33
Names & synonyms
AURORA 6433-(1,3-BENZODIOXOL-5-YL)-N-(3,4-DIMETHYLPHENYL)ACRYLAMIDE2-Propenamide, 3-(1,3-benzodioxol-5-yl)-N-(3,4-dimethylphenyl)-(2E)-3-(2H-1,3-benzodioxol-5-yl)-N-(3,4-dimethylphenyl)prop-2-enamide
Database identifiers
- CAS
300825-67-6- PubChem CID
- 692688
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 423
Physicochemical properties
- Boiling point
- 513.6 · 513.6±50.0 °C(Predicted)
- Density
- 1.256 · 1.256±0.06 g/cm3(Predicted)
- pka
- 13.62 · 13.62±0.70(Predicted)
Chemistry & industry
Suppliers7 total
Carbone Scientific CO., LTD[email protected]
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
BIONET-INTER[email protected]
AURORA[email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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