2-(Dibutylamino)-1-(4,5-dichloro-2-methylphenyl)ethanol
Basic information
- CAS
5431-55-0- Standard SMILES
CCCCN(CCCC)CC(O)c1cc(Cl)c(Cl)cc1C- InChIKey
MUIYBHKUNWBBCC-UHFFFAOYSA-N- Molecular formula
- C17H27Cl2NO
- Average molar mass
- 332.3 g/mol
- Monoisotopic mass
- 331.1469699
Names & identifiers
- Preferred name
- 2-(Dibutylamino)-1-(4,5-dichloro-2-methylphenyl)ethanol
- IUPAC
- 2-(dibutylamino)-1-(4,5-dichloro-2-methylphenyl)ethanol
Names & synonyms
5431-55-02-(dibutylamino)-1-(4,5-dichloro-2-methylphenyl)ethanolNSC13601DTXSID20279655NSC-13601DS-0034192-(dibutylamino)-1-(4,5-dichloro-2-methyl-phenyl)ethanol2-(Dibutylamino)-1-(4,5-dichloro-2-methylphenyl)ethan-1-ol
Database identifiers
- CAS
5431-55-0- PubChem CID
- 224804
- DTXSID
DTXSID20279655
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 270
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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