2-Amino-1-(4-chlorophenyl)-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Basic information
- CAS
311334-28-8- Standard SMILES
N#CC1=C(N)N(c2ccc(Cl)cc2)C2=C(C(=O)CCC2)C1c1ccc([N+](=O)[O-])cc1- InChIKey
ZRFPLXXCVAJNQI-UHFFFAOYSA-N- Molecular formula
- C22H17ClN4O3
- Average molar mass
- 420.8 g/mol
- Monoisotopic mass
- 420.0989181
Names & identifiers
- Preferred name
- 2-Amino-1-(4-chlorophenyl)-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
- IUPAC
- 2-amino-1-(4-chlorophenyl)-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
- English name
- SALOR-INT L222356-1EA
- Molecular formula
- C22H17ClN4O3
- Molecular weight
- 420.85
Names & synonyms
311334-28-82-amino-1-(4-chlorophenyl)-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrileRefChem:463149648-093-22-amino-1-(4-chlorophenyl)-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile2-amino-1-(4-chlorophenyl)-4-{4-nitrophenyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrileOprea1_725617STK754173AKOS001710394AKOS022013197AG-205/10463052SR-01000514008
Show more names
SALOR-INT L222356-1EA
SR-01000514008-1
Database identifiers
- CAS
311334-28-8- PubChem CID
- 4213063
- EC Number
- 648-093-2
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 836
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 335 · H335-H400-H315-H319
- Precautionary statements
- 273 · P273-P391-P501-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, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, 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,GHS09
- Hazard statements
- H335-H400-H315-H319
- Precautionary statements
- P273-P391-P501-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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