Basic information
- CAS
133671-41-7- Standard SMILES
CC1CCCCN1c1cc(-c2ccccc2)nc2ccccc12- InChIKey
XLXHACQUHHKCON-UHFFFAOYSA-N- Molecular formula
- C21H22N2
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.17829871
Names & identifiers
- Preferred name
- 4-(2-Methylpiperidino)-2-phenylquinoline
- IUPAC
- 4-(2-methylpiperidin-1-yl)-2-phenylquinoline
Names & synonyms
4-(2-Methylpiperidino)-2-phenylquinoline133671-41-7DTXSID40332357RefChem:287342DTXCID80283450XLXHACQUHHKCON-UHFFFAOYSA-N4-(2-methylpiperidin-1-yl)-2-phenylquinolineCHEMBL481874-(2-methyl-1-piperidyl)-2-phenyl-quinolineQuinoline, 4-(2-methyl-1-piperidinyl)-2-phenyl-
Database identifiers
- CAS
133671-41-7- PubChem CID
- 453046
- DTXSID
DTXSID40332357- ChEMBL
CHEMBL48187- EC Number
- 661-958-9
- Nikkaji
- J410.071I
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 16.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 376
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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