Basic information
- CAS
71151-26-3- Standard SMILES
CCN(CC)CC(O)(C#Cc1ccccc1)Cc1ccccc1- InChIKey
WFRQPICZUSTXBR-UHFFFAOYSA-N- Molecular formula
- C21H25NO
- Average molar mass
- 307.4 g/mol
- Monoisotopic mass
- 307.19361442
Names & identifiers
- Preferred name
- 2-Benzyl-1-(diethylamino)-4-phenylbut-3-yn-2-ol
- IUPAC
- 2-benzyl-1-(diethylamino)-4-phenylbut-3-yn-2-ol
Names & synonyms
71151-26-3DTXSID509914592-benzyl-1-(diethylamino)-4-phenylbut-3-yn-2-olRefChem:1062389DTXCID701418542BRN 2754398alpha-((Diethylamino)methyl)-alpha-(phenylethynyl)benzeneethanolBenzeneethanol, alpha-((diethylamino)methyl)-alpha-(phenylethynyl)-
Database identifiers
- CAS
71151-26-3- PubChem CID
- 3054343
- DTXSID
DTXSID50991459
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 391
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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