7-Cysteaminomitosane
[CAS# 83586-81-6]

Identification

• Name: 7-Cysteaminomitosane
• Synonyms: Rr 150; 7-Cysteaminomitosane
• Molecular Formula: C₁₇H₂₂N₄O₅S
• Molecular Weight: 394.44
• CAS Registry Number: 83586-81-6
• SMILES: [C@H]12N[C@H]1CN3[C@@]2(OC)[C@@H](C4=C3C(=O)C(=C(NCCS)C4=O)C)COC(=O)N
• InChI: 1S/C17H22N4O5S/c1-7-11(19-3-4-27)14(23)10-8(6-26-16(18)24)17(25-2)15-9(20-15)5-21(17)12(10)13(7)22/h8-9,15,19-20,27H,3-6H2,1-2H3,(H2,18,24)/t8-,9+,15+,17-/m1/s1
• InChIKey: COKNNHGNZPVVTQ-CJUKMMNNSA-N

Properties

• Density: 1.493g/cm³ (Cal.)
• Boiling point: 637.215°C at 760 mmHg (Cal.)
• Flash point: 339.176°C (Cal.)