2-Amino-1-(3-chlorophenyl)-4-(2,5-dimethyl-3-thienyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

HCID 4657461

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Basic information

CAS: 441783-19-3
Standard SMILES: Cc1cc(C2C(C#N)=C(N)N(c3cccc(Cl)c3)C3=C2C(=O)CC(C)(C)C3)c(C)s1
InChIKey: MZNAVRBDLNXEIV-UHFFFAOYSA-N
Molecular formula: C24H24ClN3OS
Average molar mass: 438 g/mol
Monoisotopic mass: 437.1328613

Names & identifiers

Preferred name: 2-Amino-1-(3-chlorophenyl)-4-(2,5-dimethyl-3-thienyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
IUPAC: 2-amino-1-(3-chlorophenyl)-4-(2,5-dimethylthiophen-3-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
English name: SALOR-INT L222887-1EA
Molecular formula: C24H24ClN3OS
Molecular weight: 437.98

Names & synonyms

441783-19-32-AMINO-1-(3-CHLOROPHENYL)-4-(2,5-DIMETHYL-3-THIENYL)-7,7-DIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILERefChem:463059647-859-32-Amino-1-(3-chlorophenyl)-4-(2,5-dimethylthiophen-3-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrileAKOS001646955AKOS021997127SR-01000485306SR-01000485306-1SALOR-INT L222887-1EA3-Quinolinecarbonitrile, 2-amino-1-(3-chlorophenyl)-4-(2,5-dimethyl-3-thienyl)-1,4,5,6,7,8-hexahydro-7,7-dimethyl-5-oxo-

Database identifiers

CAS: 441783-19-3
PubChem CID: 4657461
EC Number: 647-859-3

Properties

Computed structural properties

XLogP: 5.6
Topological polar surface area: 98.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 30
Formal charge: 0
Complexity: 854

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H315-H335
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 · 4 items

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-H315-H335
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Suppliers2 total

西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]

SIGMAALDRICH—

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