2-Amino-5-oxo-1-phenyl-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Basic information
- CAS
311765-24-9- Standard SMILES
COc1cc(C2C(C#N)=C(N)N(c3ccccc3)C3=C2C(=O)CCC3)cc(OC)c1OC- InChIKey
GMDPGNXPTCCCDD-UHFFFAOYSA-N- Molecular formula
- C25H25N3O4
- Average molar mass
- 431.5 g/mol
- Monoisotopic mass
- 431.18450629
Names & identifiers
- Preferred name
- 2-Amino-5-oxo-1-phenyl-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
- IUPAC
- 2-amino-5-oxo-1-phenyl-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile
- English name
- SALOR-INT L220973-1EA
- Molecular formula
- C25H25N3O4
- Molecular weight
- 431.48
Names & synonyms
311765-24-92-amino-5-oxo-1-phenyl-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrileRefChem:464659648-243-72-amino-5-oxo-1-phenyl-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrileOprea1_542660STK755550AKOS001718945AKOS022013713AG-205/36869020SR-01000515831SR-01000515831-1
Show more names
SALOR-INT L220973-1EA
Database identifiers
- CAS
311765-24-9- PubChem CID
- 4999998
- EC Number
- 648-243-7
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 97.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 821
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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