Search Result : Detailed Informations

Low Mol Weight Allergen Name	CAS#	CID
Disperse blue 3 / DB3	2475-46-9	17191

Structure

Other Information

Canonical SMILES	CNC1=C2C(=C(C=C1)NCCO)C(=O)C3=CC=CC=C3C2=O
Iso SMILES	CNC1=C2C(=C(C=C1)NCCO)C(=O)C3=CC=CC=C3C2=O
InChI	InChI=1S/C17H16N2O3/c1-18-12-6-7-13(19-8-9-20)15-14(12)16(21)10-4-2-3-5-11(10)17(15)22/h2-7,18-20H,8-9H2,1H3
InChI Key	NLXFWUZKOOWWFD-UHFFFAOYSA-N
Formula	C17H16N2O3
Mol Weight	296.321
XlogP3	3.3
Charge	0

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Synonyms Information

CAS Name	1-(2-hydroxyethylamino)-4-(methylamino)anthracene-9,10-dione
IUPAC Name	1-(2-hydroxyethylamino)-4-(methylamino)anthracene-9,10-dione
Openeye Name	1-(2-hydroxyethylamino)-4-(methylamino)anthracene-9,10-dione
Systematic Name	1-(2-hydroxyethylamino)-4-(methylamino)anthracene-9,10-dione
Tratitional Name	1-(2-hydroxyethylamino)-4-(methylamino)anthracene-9,10-dione