4-(3-(3-Nitronaphthalene-1,8-Dicarboximido)Propylamino)-1-(3-Nitronaphthalene-1,8-Dicarboximido)Butane Hydromethanesulfonate
[CAS# 153217-83-5]

Identification

• Name: 4-(3-(3-Nitronaphthalene-1,8-Dicarboximido)Propylamino)-1-(3-Nitronaphthalene-1,8-Dicarboximido)Butane Hydromethanesulfonate
• Synonyms: Xb 596; 1H-Benze(De)Isoquinoline-1,3(2H)-Dione, 2-(3-((4-(5-Nitro-1,3-Dioxo-1H-Benz(De)Isoquinolin-2(3H)-Yl)Butyl)Amino)Propyl)-5-Nitro-, Monomethanesulfonate; 2-(3-((4-(5-Nitro-1,3-Dioxo-1H-Benz(De)Isoquinolin-2(3H)-Yl)Butyl)Amino)Propyl)-5-Nitro-1H-Benze(De)Isoquinoline-1,3(2H)-Dione Monomethanesulfonate
• Molecular Formula: C₃₂H₂₉N₅O₁₁S
• Molecular Weight: 691.67
• CAS Registry Number: 153217-83-5
• SMILES: C[S](=O)(=O)O.C1=C3C2=C(C=C1[N+]([O-])=O)C=CC=C2C(=O)N(C3=O)CCCCNCCCN6C(=O)C4=CC(=CC5=CC=CC(=C45)C6=O)[N+]([O-])=O
• InChI: 1S/C31H25N5O8.CH4O3S/c37-28-22-8-3-6-18-14-20(35(41)42)16-24(26(18)22)30(39)33(28)12-2-1-10-32-11-5-13-34-29(38)23-9-4-7-19-15-21(36(43)44)17-25(27(19)23)31(34)40;1-5(2,3)4/h3-4,6-9,14-17,32H,1-2,5,10-13H2;1H3,(H,2,3,4)
• InChIKey: RASVFEKZOSGUBR-UHFFFAOYSA-N

Properties

• Boiling point: 839.7°C at 760 mmHg (Cal.)
• Flash point: 461.7°C (Cal.)