2-(Dibutylamino)-1-(3,4-dichlorophenyl)ethanol
Basic information
- CAS
5402-86-8- Standard SMILES
CCCCN(CCCC)CC(O)c1ccc(Cl)c(Cl)c1- InChIKey
LNBBLOQMJRYBSZ-UHFFFAOYSA-N- Molecular formula
- C16H25Cl2NO
- Average molar mass
- 318.3 g/mol
- Monoisotopic mass
- 317.1313198
Names & identifiers
- Preferred name
- 2-(Dibutylamino)-1-(3,4-dichlorophenyl)ethanol
- IUPAC
- 2-(dibutylamino)-1-(3,4-dichlorophenyl)ethanol
Names & synonyms
5402-86-82-(dibutylamino)-1-(3,4-dichlorophenyl)ethanolNSC8573DTXSID90278635NSC-85732-(Dibutylamino)-1-(3,4-dichlorophenyl)ethan-1-ol
Database identifiers
- CAS
5402-86-8- PubChem CID
- 222502
- DTXSID
DTXSID90278635
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 245
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Compound notes
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