Basic information
- CAS
694-84-8- Standard SMILES
CC1CC=CCN1C- InChIKey
CNUHMPWMVDJTSL-UHFFFAOYSA-N- Molecular formula
- C7H13N
- Average molar mass
- 111.18 g/mol
- Monoisotopic mass
- 111.10479942
Names & identifiers
- Preferred name
- 1,2-Dimethyl-1,2,3,6-tetrahydropyridine
- IUPAC
- 1,2-dimethyl-3,6-dihydro-2H-pyridine
- English name
- 1,2-Dimethyl-1,2,3,6-tetrahydropyridine
- Molecular formula
- C7H13N
- Molecular weight
- 111.18
Names & synonyms
1,2-Dimethyl-1,2,3,6-tetrahydropyridinePyridine, 1,2,3,6-tetrahydro-1,2-dimethyl-694-84-81,2,3,6-Tetrahydro-1,2-dimethylpyridine1,6-Dimethyl-3-piperideineSCHEMBL5851845SCHEMBL8359513CNUHMPWMVDJTSL-UHFFFAOYSA-NDTXSID4012792561,2-Dimethyl-1,2,3,6-tetrahydropyridine #pyridine, 1,2,5,6-tetrahydro-1,6-dimethyl-
Database identifiers
- CAS
694-84-8- PubChem CID
- 565854
- DTXSID
DTXSID401279256- Nikkaji
- J110.403I
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 96.6
Physicochemical properties
- Melting point
- 227 °C · 227 °C
- Boiling point
- 132 · 132-132.5 °C(Press: 755 Torr)
- Density
- 0.8485 g/cm3 · 0.8485 g/cm3
- pka
- 9.11 · 9.11±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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