Basic information
- CAS
5233-54-5- Standard SMILES
CN1CC=C(c2ccc(O)cc2)CC1- InChIKey
GIGCUVKCMPXMAZ-UHFFFAOYSA-N- Molecular formula
- C12H15NO
- Average molar mass
- 189.25 g/mol
- Monoisotopic mass
- 189.1153641
Names & identifiers
- Preferred name
- 4-(1,2,3,6-Tetrahydro-1-methyl-4-pyridinyl)phenol
- IUPAC
- 4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenol
- English name
- 4-(1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)phenol hydrochloride
- Molecular formula
- C12H15NO
- Molecular weight
- 189.25
Names & synonyms
5233-54-5Phenol, p-(1,2,3,6-tetrahydro-1-methyl-4-pyridyl)-NSC-15146UQ66U8BXY44-(1,2,3,6-Tetrahydro-1-methyl-4-pyridinyl)phenolRefChem:10696924-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)phenol4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenolCHEMBL108967phenol, 4-(1,2,3,6-tetrahydro-1-methyl-4-pyridinyl)-, hydrochloride4-(1-methyl-4-1,2,5,6-tetrahydropyridyl)phenolPyridine, 1,2,3,6-tetrahydro-1-methyl-4-(4-hydroxyphenyl)-
Show more names
4-(1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)phenol hydrochloride4-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)phenol hydrochloride(SALTDATA: HCl)
Pyridine, 1,2,3,6-tetrahydro-1-methyl-4-[4-hydroxyphenyl]-NSC15146NSC 15146starbld0014166SCHEMBL8382616DTXSID60966714Phenol, 4-(1,2,3,6-tetrahydro-1-methyl-4-pyridinyl)-GIGCUVKCMPXMAZ-UHFFFAOYSA-N
Database identifiers
- CAS
5233-54-5
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Melting point
- 206 · 206-207 °C
- Boiling point
- 324.6 · 324.6±42.0 °C(Predicted)
- Density
- 1.104 · 1.104±0.06 g/cm3(Predicted)
- pka
- 10.25 · 10.25±0.30(Predicted)
- FDA UNII
- 66 U8BXY4 · UQ66U8BXY4
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
Metabolism/MetabolitesP-hydroxy-MPTP is a known human metabolite of 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine.
Upstream & downstream products
Upstream raw materials
Suppliers1 total
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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