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

HCID 4599331

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Basic information

CAS: 296771-35-2
Standard SMILES: N#CC1=C(N)N(c2cccc([N+](=O)[O-])c2)C2=C(C(=O)CCC2)C1c1cccnc1
InChIKey: IVJNHABVTGQSGE-UHFFFAOYSA-N
Molecular formula: C21H17N5O3
Average molar mass: 387.4 g/mol
Monoisotopic mass: 387.13313942

Names & identifiers

Preferred name: 2-Amino-1-(3-nitrophenyl)-5-oxo-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
IUPAC: 2-amino-1-(3-nitrophenyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
English name: 2-amino-1-{3-nitrophenyl}-5-oxo-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Molecular formula: C21H17N5O3
Molecular weight: 387.397

Names & synonyms

296771-35-22-amino-1-{3-nitrophenyl}-5-oxo-4-(3-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile2-AMINO-1-(3-NITROPHENYL)-5-OXO-4-(3-PYRIDINYL)-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILERefChem:463095648-144-92-amino-1-(3-nitrophenyl)-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrileOprea1_816852STK754180AKOS001710300AKOS0220132032-amino-1-(3-nitrophenyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrileST007316

Show more names

AG-205/10431028SR-01000514014SR-01000514014-12-amino-1-(3-nitrophenyl)-5-oxo-4-(3-pyridyl)-1,4,6,7,8-pentahydroquinoline-3- carbonitrile2-amino-1-(3-nitrophenyl)-5-oxo-4-pyridin-3-yl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Database identifiers

CAS: 296771-35-2
PubChem CID: 4599331
EC Number: 648-144-9

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 129 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 2
Heavy atoms: 29
Formal charge: 0
Complexity: 818

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H315-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: H335-H315-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]

SPECS[email protected]

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Compound notes

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