Basic information
- CAS
61171-07-1- Standard SMILES
Cc1ccc(Cc2cc(C)ncc2C)c(C)c1- InChIKey
UXLQVMDEZHZLBO-UHFFFAOYSA-N- Molecular formula
- C16H19N
- Average molar mass
- 225.33 g/mol
- Monoisotopic mass
- 225.15174961
Names & identifiers
- Preferred name
- 4-[(2,4-Dimethylphenyl)methyl]-2,5-dimethylpyridine
- IUPAC
- 4-[(2,4-dimethylphenyl)methyl]-2,5-dimethylpyridine
- English name
- Pyridine, 4-[(2,4-dimethylphenyl)methyl]-2,5-dimethyl-
- Molecular formula
- C16H19N
- Molecular weight
- 225.33
Names & synonyms
61171-07-14-[(2,4-dimethylphenyl)methyl]-2,5-dimethylpyridine4-(2,4-Dimethylbenzyl)-2,5-dimethylpyridinePyridine, 4-[(2,4-dimethylphenyl)methyl]-2,5-dimethyl-CHEMBL1928089DTXSID10341956UXLQVMDEZHZLBO-UHFFFAOYSA-NMFCD01305364SBB002912STK757991AKOS001766626NCGC00332592-01
Show more names
4-(2,4-DIMETHYL-BENZYL)-2,5-DIMETHYL-PYRIDINE
ST4038301CS-0326870EU-0051796ST504490464-(2,4-Dimethylbenzyl)-2,5-dimethylpyridine #AB01326394-02AG-205/15424729Pyridine, 2,5-dimethyl-4-(2,4-dimethylbenzyl)-
Database identifiers
- CAS
61171-07-1- PubChem CID
- 577294
- DTXSID
DTXSID10341956- ChEMBL
CHEMBL1928089- EC Number
- 157-497-3
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Melting point
- 82.5 · 82.5-83.5 °C(Solv: hexane (110-54-3))
- Boiling point
- 349.4 · 349.4±11.0 °C(Predicted)
- Density
- 0.991 · 0.991±0.06 g/cm3(Predicted)
- pka
- 6.78 · 6.78±0.18(Predicted)
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, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, 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%)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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