2-Amino-4-(2,4-dichlorophenyl)-5-oxo-1-(1H-1,2,4-triazol-5-YL)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Basic information
- CAS
442523-14-0- Standard SMILES
N#CC1=C(N)N(c2ncn[nH]2)C2=C(C(=O)CCC2)C1c1ccc(Cl)cc1Cl- InChIKey
AFVNHNWGGLICGC-UHFFFAOYSA-N- Molecular formula
- C18H14Cl2N6O
- Average molar mass
- 401.2 g/mol
- Monoisotopic mass
- 400.0606145
Names & identifiers
- Preferred name
- 2-Amino-4-(2,4-dichlorophenyl)-5-oxo-1-(1H-1,2,4-triazol-5-YL)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
- IUPAC
- 2-amino-4-(2,4-dichlorophenyl)-5-oxo-1-(1H-1,2,4-triazol-5-yl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile
- English name
- SALOR-INT L223425-1EA
- Molecular formula
- C18H14Cl2N6O
- Molecular weight
- 401.25
Names & synonyms
442523-14-02-AMINO-4-(2,4-DICHLOROPHENYL)-5-OXO-1-(1H-1,2,4-TRIAZOL-5-YL)-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILERefChem:464048648-978-32-Amino-4-(2,4-dichlorophenyl)-5-oxo-1-(1H-1,2,4-triazol-5-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrileOprea1_691032AKOS001639416AKOS022002030AKOS024407958SR-01000490418SR-01000490418-12-amino-4-(2,4-dichlorophenyl)-5-oxo-1-(1H-1,2,4-triazol-3-yl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Show more names
SALOR-INT L223425-1EA3-Quinolinecarbonitrile, 2-amino-4-(2,4-dichlorophenyl)-1,4,5,6,7,8-hexahydro-5-oxo-1-(1H-1,2,4-triazol-5-yl)-
Database identifiers
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 756
Physicochemical properties
- Boiling point
- 683.2 · 683.2±65.0 °C(Predicted)
- Density
- 1.6 · 1.60±0.1 g/cm3(Predicted)
- pka
- 9.9 · 9.90±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
- H335-H319-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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