1-(Pyridin-2-yl)-2-((pyridin-2-yl)methyl)butan-2-ol
Basic information
- CAS
4664-17-9- Standard SMILES
CCC(O)(Cc1ccccn1)Cc1ccccn1- InChIKey
AIIXGVSAQDKAGN-UHFFFAOYSA-N- Molecular formula
- C15H18N2O
- Average molar mass
- 242.32 g/mol
- Monoisotopic mass
- 242.1419132
Names & identifiers
- Preferred name
- 1-(Pyridin-2-yl)-2-((pyridin-2-yl)methyl)butan-2-ol
- IUPAC
- 1-pyridin-2-yl-2-(pyridin-2-ylmethyl)butan-2-ol
- English name
- 1-pyridin-2-yl-2-(pyridin-2-ylmethyl)butan-2-ol
- Molecular formula
- C15H18N2O
- Molecular weight
- 242.32
Names & synonyms
4664-17-9MLS002608461NSC 428071-(pyridin-2-yl)-2-((pyridin-2-yl)methyl)butan-2-ol1-(Pyridin-2-yl)-2-[(pyridin-2-yl)methyl]butan-2-olNSC428072-Pyridineethanol, a-ethyl-a-(2-pyridinylmethyl)-CHEMBL1873193DTXSID40285793HMS3092H13NSC-42807SMR001527209
Show more names
1-pyridin-2-yl-2-(pyridin-2-ylmethyl)butan-2-ol2-Pyridineethanol, α-ethyl-α-(2-pyridinylmethyl)-
DS-004459
Database identifiers
- CAS
4664-17-9- PubChem CID
- 238459
- DTXSID
DTXSID40285793- ChEMBL
CHEMBL1873193
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 46 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Boiling point
- 162.5 · 162.5-164 °C(Press: 1.7 Torr)
- Density
- 1.119 · 1.119±0.06 g/cm3(Predicted)
- pka
- 13.89 · 13.89±0.29(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…