Basic information
- CAS
514840-19-8- Standard SMILES
COc1cccc(C2C(C#N)=C(N)N(c3cccc(Br)c3)C3=C2C(=O)CC(C)(C)C3)c1- InChIKey
LLWWXSNFDMRUMZ-UHFFFAOYSA-N- Molecular formula
- C25H24BrN3O2
- Average molar mass
- 478.4 g/mol
- Monoisotopic mass
- 477.10519
Names & identifiers
- Preferred name
- 2-amino-1-(3-bromophenyl)-4-(3-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
- IUPAC
- 2-amino-1-(3-bromophenyl)-4-(3-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
- English name
- 2-amino-1-(3-bromophenyl)-4-(3-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
- Molecular formula
- C25H24BrN3O2
- Molecular weight
- 478.38096
Names & synonyms
2-amino-1-(3-bromophenyl)-4-(3-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile2-amino-1-(3-bromophenyl)-4-(3-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrileOprea1_6553832-amino-1-(3-bromophenyl)-4-(3-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrileSTL173011AKOS003794594ST50711675AK-968/15604402514840-19-8
Database identifiers
- CAS
514840-19-8- PubChem CID
- 3695589
- EC Number
- 133-283-5
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 79.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 852
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (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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