1-Propanone, 1-(4-(2-hydroxy-4-((1-methyl-2-phenylethyl)amino)butoxy)phenyl)-, hydrochloride
Basic information
- CAS
36116-03-7- Standard SMILES
CCC(=O)c1ccc(OCC(O)CCNC(C)Cc2ccccc2)cc1.Cl- InChIKey
ZXXDDXBDDKKADU-UHFFFAOYSA-N- Molecular formula
- C22H30ClNO3
- Average molar mass
- 391.9 g/mol
- Monoisotopic mass
- 391.1914215
Names & identifiers
- Preferred name
- 1-Propanone, 1-(4-(2-hydroxy-4-((1-methyl-2-phenylethyl)amino)butoxy)phenyl)-, hydrochloride
- IUPAC
- 1-[4-[2-hydroxy-4-(1-phenylpropan-2-ylamino)butoxy]phenyl]propan-1-one;hydrochloride
Names & synonyms
36116-03-71-(4-(2-Hydroxy-4-((1-methyl-2-phenylethyl)amino)butoxy)phenyl)-1-propanone hydrochloride1-Propanone, 1-(4-(2-hydroxy-4-((1-methyl-2-phenylethyl)amino)butoxy)phenyl)-, hydrochlorideRefChem:234823DTXSID809575281-(4-{2-Hydroxy-4-[(1-phenylpropan-2-yl)amino]butoxy}phenyl)propan-1-one--hydrogen chloride (1/1)
Database identifiers
- CAS
36116-03-7- PubChem CID
- 215720
- DTXSID
DTXSID80957528
Properties
Computed structural properties
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 387
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Compound notes
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