Isobutyl 6-methyl-2-(4-methylphenyl)-4-quinolinecarboxylate
Basic information
- CAS
355421-04-4- Standard SMILES
Cc1ccc(-c2cc(C(=O)OCC(C)C)c3cc(C)ccc3n2)cc1- InChIKey
COPXZSPPXXWKHT-UHFFFAOYSA-N- Molecular formula
- C22H23NO2
- Average molar mass
- 333.4 g/mol
- Monoisotopic mass
- 333.17287898
Names & identifiers
- Preferred name
- Isobutyl 6-methyl-2-(4-methylphenyl)-4-quinolinecarboxylate
- IUPAC
- 2-methylpropyl 6-methyl-2-(4-methylphenyl)quinoline-4-carboxylate
- English name
- isobutyl 6-methyl-2-(4-methylphenyl)-4-quinolinecarboxylate
- Molecular formula
- C22H23NO2
- Molecular weight
- 333.42
Names & synonyms
355421-04-4isobutyl 6-methyl-2-(4-methylphenyl)-4-quinolinecarboxylateRefChem:791614632-047-32-methylpropyl 6-methyl-2-(4-methylphenyl)quinoline-4-carboxylateIsobutyl 6-methyl-2-(p-tolyl)quinoline-4-carboxylateOprea1_397759STK269873AKOS001671773EU-0045106ST50853739AK-918/13771418
Show more names
4-Quinolinecarboxylic acid, 6-methyl-2-(4-methylphenyl)-, 2-methylpropyl ester
SR-01000494583SR-01000494583-1
Database identifiers
- CAS
355421-04-4- PubChem CID
- 698740
- EC Number
- 632-047-3
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 441
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H413-H319-H302-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-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]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H413-H319-H302-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
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Related reactions
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Compound notes
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