Basic information
- CAS
181775-85-9- Standard SMILES
CN1CCN(c2cc(-c3ccc4ccccc4c3)nc3ccccc23)CC1- InChIKey
XLKNYJHOWPSASL-UHFFFAOYSA-N- Molecular formula
- C24H23N3
- Average molar mass
- 353.5 g/mol
- Monoisotopic mass
- 353.18919775
Names & identifiers
- Preferred name
- 4-(4-Methyl-piperazin-1-yl)-2-naphthalen-2-ylquinoline
- IUPAC
- 4-(4-methylpiperazin-1-yl)-2-naphthalen-2-ylquinoline
- English name
- 4-(4-Methylpiperazin-1-yl)-2-(naphthalen-2-yl)quinoline
- Molecular formula
- C24H23N3
- Molecular weight
- 353.46
Names & synonyms
181775-85-9RefChem:5143874-(4-Methyl-piperazin-1-yl)-2-naphthalen-2-ylquinoline103-404-64-(4-methylpiperazin-1-yl)-2-(naphthalen-2-yl)quinoline4-(4-methyl-1-piperazinyl)-2-(2-naphthyl)quinolineOprea1_723007CHEMBL339640AKOS024422403Quinoline, 4-(4-methyl-1-piperazinyl)-2-(2-naphthalenyl)-
Database identifiers
- CAS
181775-85-9- PubChem CID
- 985381
- ChEMBL
CHEMBL339640- EC Number
- 103-404-6
- Nikkaji
- J769.064I
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 19.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 486
Physicochemical properties
- Boiling point
- 560.9 · 560.9±50.0 °C(Predicted)
- Density
- 1.18 · 1.180±0.06 g/cm3(Predicted)
- pka
- 9.26 · 9.26±0.61(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
Suppliers2 total
Chemenu Inc.[email protected]
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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