AG000XB8

12769-16-3 | C.I. Solvent Blue 19 (9CI)

AG000XB8

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CAS Number	12769-16-3
Catalog Number	AG000XB8(AGN-PC-0PIMF3)
Chemical Name	C.I. Solvent Blue 19 (9CI)
EC Number	221-667-6
IUPAC Name	1-anilino-4-(methylamino)anthracene-9,10-dione
InChI	InChI=1S/C21H16N2O2/c1-22-16-11-12-17(23-13-7-3-2-4-8-13)19-18(16)20(24)14-9-5-6-10-15(14)21(19)25/h2-12,22-23H,1H3
InChI Key	TVBNRFCUTVWHQB-UHFFFAOYSA-N
MDL Number	MFCD00151498
Molecular Formula	C21H16N2O2
Molecular Weight	328.3639
SMILES	O=C1C2=C(C=CC=C2)C(C3=C(NC4=CC=CC=C4)C=CC(NC)=C13)=O
Synonyms	1,4,5,8-tetraaminoanthracene-9,10-dione, C.I. Disperse Blue 1, Disperse Blue 1, Oracet blue, 12769-16-3, Oracet Blue B, 1-(Methylamino)-4-(phenylamino)anthracene-9,10-dione, Solvent blue 19, Oracet Blue, Disperse blue 24, 3179-96-2, 1-Anilino-4-(methylamino)anthraquinone, 9,10-Anthracenedione, 1-(methylamino)-4-(phenylamino)-, MFCD00151498, 1-anilino-4-(methylamino)anthracene-9,10-dione, EINECS 221-667-6, 4-(methylamino)-1-(phenylamino)anthracene-9,10-dione, 1-(Methylamino)-4-(phenylamino)anthraquinone, AC1Q6JUR, 1-anilino-4-(methylamino)-9,10-anthraquinone, AC1L2RD7, SCHEMBL139752, Oracet Blue B, for microscopy, DTXSID5062897, CTK4G7758, C.I. Solvent Blue 19 (9CI), ZINC4521757, 5363AA, GT1429, Oracet Blue B (C.I. 61515), SBB058261, AKOS016013874, DYE0000667, MCULE-1010632229, 1-Methylamino-4-phenylamino-anthraquinone, AJ-51450, AX8146279, C.I.61515, ST51016124, 9,10-Anthracenedione,1-(methylamino)-4-(phenylamino)-, 1- -4- anthraquinone, C.I. Solvent Blue 19, C21H16N2O2, CID76647, AR-1C1565, C21-H16-N2-O2, Anthraquinone, 1-anilino-4-(methylamino)-, 33024-39-4,

Complexity	514
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	328.121g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	328.371g/mol
Monoisotopic Mass	328.121g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	58.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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