Basic information
- CAS
2110-55-6- Standard SMILES
CCN(CC)CC#CC(O)(c1ccccc1)c1cccnc1- InChIKey
LDBOQFKCZNFXLN-UHFFFAOYSA-N- Molecular formula
- C19H22N2O
- Average molar mass
- 294.4 g/mol
- Monoisotopic mass
- 294.17321333
Names & identifiers
- Preferred name
- 3-Pyridinemethanol, alpha-(3-(diethylamino)-1-propynyl)-alpha-phenyl-
- IUPAC
- 4-(diethylamino)-1-phenyl-1-pyridin-3-ylbut-2-yn-1-ol
Names & synonyms
2110-55-63-Pyridinemethanol, alpha-(3-(diethylamino)-1-propynyl)-alpha-phenyl-RefChem:1068712alpha-(3-(Diethylamino)-1-propynyl)-alpha-phenyl-3-pyridinemethanol4-(diethylamino)-1-phenyl-1-pyridin-3-ylbut-2-yn-1-ol4-(diethylamino)-1-phenyl-1-(3-pyridinyl)-2-butyn-1-olBRN 0419291DTXSID809434264-(diethylamino)-1-phenyl-1-(pyridin-3-yl)but-2-yn-1-ol
Database identifiers
- CAS
2110-55-6- PubChem CID
- 200474
- DTXSID
DTXSID80943426- Nikkaji
- J545.116G
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 36.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 387
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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