1-Amino-4-(Butan-2-Ylamino)-5-Hydroxy-8-Nitroanthracene-9,10-Dione
[CAS# 31715-42-1]

Identification

• Name: 1-Amino-4-(Butan-2-Ylamino)-5-Hydroxy-8-Nitroanthracene-9,10-Dione
• Synonyms: 1-Amino-5-Hydroxy-8-Nitro-4-(Sec-Butylamino)Anthracene-9,10-Dione; 1-Amino-5-Hydroxy-8-Nitro-4-(Sec-Butylamino)-9,10-Anthraquinone; 1-Amino-4-(Butan-2-Ylamino)-5-Hydroxy-8-Nitro-Anthracene-9,10-Dione
• Molecular Formula: C₁₈H₁₇N₃O₅
• Molecular Weight: 355.35
• CAS Registry Number: 31715-42-1
• EINECS: 250-775-6
• SMILES: C1=CC(=C3C(=C1O)C(=O)C2=C(C(=CC=C2NC(CC)C)N)C3=O)[N+]([O-])=O
• InChI: 1S/C18H17N3O5/c1-3-8(2)20-10-5-4-9(19)13-14(10)18(24)16-12(22)7-6-11(21(25)26)15(16)17(13)23/h4-8,20,22H,3,19H2,1-2H3
• InChIKey: WQNHLAKNRJAPAL-UHFFFAOYSA-N

Properties

• Density: 1.475g/cm³ (Cal.)
• Boiling point: 660.874°C at 760 mmHg (Cal.)
• Flash point: 353.484°C (Cal.)