Basic information
- CAS
33406-44-9- Standard SMILES
CCCCNCC(=O)c1ccc(O)c(O)c1- InChIKey
LSBYTACKGLHMBM-UHFFFAOYSA-N- Molecular formula
- C12H17NO3
- Average molar mass
- 223.27 g/mol
- Monoisotopic mass
- 223.1208434
Names & identifiers
- Preferred name
- Acetophenone, 2-(butylamino)-3',4'-dihydroxy-
- IUPAC
- 2-(butylamino)-1-(3,4-dihydroxyphenyl)ethanone
Names & synonyms
33406-44-9BRN 32815362-(Butylamino)-3',4'-dihydroxyacetophenoneACETOPHENONE, 2-(BUTYLAMINO)-3',4'-DIHYDROXY-Ethanone, 2-(butylamino)-1-(3,4-dihydroxyphenyl)-DTXSID301870504-14-00-00836 (Beilstein Handbook Reference)RefChem:316912DTXCID401095412-(butylamino)-1-(3,4-dihydroxyphenyl)ethanoneSCHEMBL97681412-(Butylamino)-1-(3,4-dihydroxyphenyl)ethan-1-one
Database identifiers
- CAS
33406-44-9- PubChem CID
- 36459
- DTXSID
DTXSID30187050
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 220
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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