Basic information
- CAS
5048-08-8- Standard SMILES
CN1CC=C(c2ccc(Cl)cc2)CC1- InChIKey
NEPOYLVMRQRLAT-UHFFFAOYSA-N- Molecular formula
- C12H14ClN
- Average molar mass
- 207.7 g/mol
- Monoisotopic mass
- 207.0814771
Names & identifiers
- Preferred name
- 1-Methyl-4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine
- IUPAC
- 4-(4-chlorophenyl)-1-methyl-3,6-dihydro-2H-pyridine
- English name
- 1-methyl-4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine
- Molecular formula
- C12H14ClN
- Molecular weight
- 207.7
Names & synonyms
5048-08-81-Methyl-4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridinePC-MptpDTXSID90198501RefChem:76307DTXCID801209924-(4-Chlorophenyl)-1-methyl-1,2,3,6-tetrahydropyridine4-(4-chlorophenyl)-1-methyl-3,6-dihydro-2H-pyridinePyridine, 4-(4-chlorophenyl)-1,2,3,6-tetrahydro-1-methyl-CHEMBL440702SCHEMBL60431361-methyl-4-(4'-chlorophenyl)-1,2,3,6-tetrahydropyridine
Show more names
4-(4-chloro-phenyl)-1-methyl-1,2,3,6-tetrahydropyridine4-(4-Chlorophenyl)-1-methyl-1,2,3,6-tetrahydropyridine #Pyridine, 1,2,3,6-tetrahydro-1-methyl-4-[4-chlorophenyl]-
Database identifiers
- CAS
5048-08-8- PubChem CID
- 78745
- DTXSID
DTXSID90198501- ChEMBL
CHEMBL440702- Nikkaji
- J518.600E
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 216
Experimental & physicochemical properties
LogP3.32
Physicochemical properties
- Melting point
- 90 · 90-91 °C(Solv: isopropanol (67-63-0))
- Boiling point
- 295.7 · 295.7±40.0 °C(Predicted)
- Density
- 1.123 · 1.123±0.06 g/cm3(Predicted)
- pka
- 8.57 · 8.57±0.40(Predicted)
Related reactions
3 records
Compound notes
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