CAS 117-06-6 Benzamide, N-(5-amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)- (HCID 67011)

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Basic information

CAS: 117-06-6
Standard SMILES: Nc1cccc2c1C(=O)c1cccc(NC(=O)c3ccccc3)c1C2=O
InChIKey: FWEQPMZEKHHFTB-UHFFFAOYSA-N
Molecular formula: C21H14N2O3
Average molar mass: 342.3 g/mol
Monoisotopic mass: 342.10044231

Names & identifiers

Preferred name: Benzamide, N-(5-amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)-
IUPAC: N-(5-amino-9,10-dioxoanthracen-1-yl)benzamide
English name: 1-Amino-5-benzoylaminoanthraquinone
Molecular formula: C21H14N2O3
Molecular weight: 342.35

Names & synonyms

Benzamide, N-(5-amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)-DTXSID6059445RefChem:561574DTXCID90333911-Amino-5-benzoylaminoanthraquinone117-06-61-Amino-5-benzamidoanthraquinoneN-(5-amino-9,10-dioxo-9,10-dihydroanthracen-1-yl)benzamide1-Benzamido-5-aminoanthraquinone5-Benzamido-1-aminoanthraquinoneN-(5-amino-9,10-dioxoanthracen-1-yl)benzamideNSC13981

Show more names

5-Amino-1-benzamidoanthraquinone1-BENZAMIDO-5-ANTHRAQUINONYLAMINE1-Benzamido-5-amino anthraquinoneN-(5-amino-9,10-diketo-1-anthryl)benzamideN-(5-azanyl-9,10-dioxo-anthracen-1-yl)benzamideN-(5-Amino-9,10-dihydro-9,10-dioxo-1-anthryl)benzamid

N-(5-Amino-9,10-dihydro-9,10-dioxo-1-anthryl)benzamideAnthraquinone, 1-amino-5-benzamido-Benzamide, N-(5-amino-1-anthraquinonyl)-N-(5-amino-9,10-dioxo-1-anthryl)benzamideNSC-13981GoldamideN-(5-Amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)benzamideEINECS 204-169-3

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 89.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 26
Formal charge: 0
Complexity: 584

Physicochemical properties

CAS DataBase Reference: 117 · 117-06-6(CAS DataBase Reference)
FDA UNII: 9 H2H4BM68 · S9H2H4BM68
EPA Substance Registry System: Benzamide, N-(5-amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)- (117-06-6)
TSCA: TSCA listed

Safety & regulation

Safety data

tsca: TSCA listed

Chemistry & industry

Upstream & downstream products

Downstream products

Vat Yellow 12 (C.I.)Vat Yellow 17 N-[4-(benzoylamino)-9,10-dihydro-9,10-dioxo-1-anthryl]-N'-[5-(benzoylamino)-9,10-dihydro-9,10-dioxo-1-anthryl]isophthaldiamide N,N'-bis[5-(benzoylamino)-9,10-dihydro-9,10-dioxo-1-anthryl]isophthaldiamide N,N'-(5,13,14,15,20,28,29,30-octahydro-5,13,15,20,28,30-hexaoxobenzo[4,5]naphth[2''',3''':6'',7'']indolo[3'',2'':4',5']aceanthryleno[1',2':2,3]indeno[7,1-ab]naphtho[2,3-i]carbazole-4,19-diyl)bis(benzamide)Vat Orange 15 Vat Yellow 10 N-(7,9-dichloro-6,11,14,19,20,21-hexahydro-5,11,14,19,21-pentaoxo-5H-naphtho[2,3-c]naphth[2',3':6,7]indolo[3,2-a]acridin-15-yl)benzamide N-[5-(benzoylamino)-9,10-dihydro-9,10-dioxoanthryl]-5,8,13,14-tetrahydro-5,8,14-trioxonaphth[2,3-c]acridine-10-carboxamide

Related reactions

2 records

New reaction record

HRID 64622As reactantuspto-grants-1986_09

HRID 542991As reactantuspto-grants-1987_04

Compound notes

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Benzamide, N-(5-amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)-