Basic information
- CAS
23909-52-6- Standard SMILES
COc1ccc(CC2C(C)=C(C)CCN2Cc2ccccc2)cc1- InChIKey
FGVXHUJLIAKCEK-UHFFFAOYSA-N- Molecular formula
- C22H27NO
- Average molar mass
- 321.5 g/mol
- Monoisotopic mass
- 321.20926448
Names & identifiers
- Preferred name
- 1-Benzyl-1,2,5,6-tetrahydro-2-((4-methoxyphenyl)methyl)-3,4-dimethylpyridine
- IUPAC
- 1-benzyl-6-[(4-methoxyphenyl)methyl]-4,5-dimethyl-3,6-dihydro-2H-pyridine
- English name
- 1-benzyl-1,2,5,6-tetrahydro-2-[(4-methoxyphenyl)methyl]-3,4-dimethylpyridine
- Molecular formula
- C22H27NO
- Molecular weight
- 321.46
Names & synonyms
EINECS 245-937-81-BENZYL-1,2,5,6-TETRAHYDRO-2-[(4-METHOXYPHENYL)METHYL]-3,4-DIMETHYLPYRIDINE1-Benzyl-1,2,5,6-tetrahydro-2-((4-methoxyphenyl)methyl)-3,4-dimethylpyridinePyridine, 1,2,5,6-tetrahydro-2-((4-methoxyphenyl)methyl)-3,4-dimethyl-1-(phenylmethyl)-RefChem:429712245-937-823909-52-6SCHEMBL11824430DTXSID40946731FGVXHUJLIAKCEK-UHFFFAOYSA-N1-Benzyl-6-[(4-methoxyphenyl)methyl]-4,5-dimethyl-1,2,3,6-tetrahydropyridineNS00050889
Show more names
1,2,5,6-Tetrahydro-2-(4-methoxyphenylmethyl)-3,4-dimethyl-1-(phenylmethyl)pyridine1,2,5,6-Tetrahydro-2-[(4-methoxyphenyl)methyl]-3,4-dimethyl-1-(phenylmethyl)pyridine
Database identifiers
- CAS
23909-52-6- PubChem CID
- 91057
- DTXSID
DTXSID40946731- EC Number
- 245-937-8
- Nikkaji
- J242.698F
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 416
Physicochemical properties
- Boiling point
- 437.9 · 437.9±30.0 °C(Predicted)
- Density
- 1.045 · 1.045±0.06 g/cm3(Predicted)
- pka
- 7.91 · 7.91±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers2 total
虞城县药扬技术服务部17739007752 17324281842 · [email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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