2-Amino-1-(2-chloro-4-nitrophenyl)-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

HCID 3535705

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Basic information

CAS: 476483-59-7
Standard SMILES: COc1cc(C2C(C#N)=C(N)N(c3ccc([N+](=O)[O-])cc3Cl)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC
InChIKey: UMDZKICVRJICNB-UHFFFAOYSA-N
Molecular formula: C27H27ClN4O6
Average molar mass: 539 g/mol
Monoisotopic mass: 538.1619123

Names & identifiers

Preferred name: 2-Amino-1-(2-chloro-4-nitrophenyl)-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
IUPAC: 2-amino-1-(2-chloro-4-nitrophenyl)-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile
English name: SALOR-INT L220671-1EA
Molecular formula: C27H27ClN4O6
Molecular weight: 538.98

Names & synonyms

476483-59-72-amino-1-(2-chloro-4-nitrophenyl)-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrileRefChem:462989648-277-22-Amino-1-(2-chloro-4-nitrophenyl)-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrileAKOS024407930SALOR-INT L220671-1EA

Database identifiers

CAS: 476483-59-7
PubChem CID: 3535705
EC Number: 648-277-2

Properties

Computed structural properties

XLogP: 4.9
Topological polar surface area: 144 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 9
Rotatable bonds: 5
Heavy atoms: 38
Formal charge: 0
Complexity: 1,060

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H335-H319
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 · 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: H315-H335-H319
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

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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Compound notes

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