Basic information
- CAS
98116-92-8- Standard SMILES
CCCCNC(=O)c1ccc(O)c(O)c1- InChIKey
BCJUFWUOCJPSSX-UHFFFAOYSA-N- Molecular formula
- C11H15NO3
- Average molar mass
- 209.24 g/mol
- Monoisotopic mass
- 209.10519334
Names & identifiers
- Preferred name
- Benzamide, N-butyl-3,4-dihydroxy-
- IUPAC
- N-butyl-3,4-dihydroxybenzamide
- English name
- Benzamide, N-butyl-3,4-dihydroxy- (9CI)
- Molecular formula
- C11H15NO3
- Molecular weight
- 209.24
Names & synonyms
N-Butyl-3,4-dihydroxybenzamide98116-92-8Benzamide, N-butyl-3,4-dihydroxy-N-(n-Butyl)-3,4-dihydroxybenzamideDTXSID40243454RefChem:322475DTXCID40165945SCHEMBL9725101Benzamide, N-butyl-3,4-dihydroxy- (9CI)
Database identifiers
- CAS
98116-92-8- PubChem CID
- 3062452
- DTXSID
DTXSID40243454- Nikkaji
- J535.553B
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- Boiling point
- 389 · 389.0±32.0 °C(Predicted)
- Density
- 1.187 · 1.187±0.06 g/cm3(Predicted)
- pka
- 8.41 · 8.41±0.20(Predicted)
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers2 total
深圳市创鑫生物科技有限公司13417589054 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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