Basic information
- CAS
438238-88-1- Standard SMILES
CCOC(=O)C1=C(C)NC2=C(C(=O)C(C(=O)OCC)C(c3ccc(OC)cc3)C2)C1c1ccccc1- InChIKey
HGSLOEDUNASESU-UHFFFAOYSA-N- Molecular formula
- C29H31NO6
- Average molar mass
- 489.6 g/mol
- Monoisotopic mass
- 489.21513771
Names & identifiers
- Preferred name
- Diethyl 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate
- IUPAC
- diethyl 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate
- English name
- diethyl 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate
- Molecular formula
- C29H31NO6
- Molecular weight
- 489.55954
Names & synonyms
diethyl 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylatediethyl 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylateOprea1_405569Oprea1_513842AN-919/40736715AKOS001639213AKOS022001790438238-88-1diethyl 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylateAB00115681-01SR-01000490264SR-01000490264-1
Database identifiers
- CAS
438238-88-1- PubChem CID
- 2909883
- EC Number
- 135-152-8
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 907
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, 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. 3 (100%)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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