Disodium 3-[{4-[(E)-(5-Nitro-2-Pyridinyl)Diazenyl]-3-Oxidophenyl}(Propyl)Amino]-1-Propanesulfonate
[CAS# 115408-94-1]

Identification

• Name: Disodium 3-[{4-[(E)-(5-Nitro-2-Pyridinyl)Diazenyl]-3-Oxidophenyl}(Propyl)Amino]-1-Propanesulfonate
• Synonyms: 2-(5-Nitro-2-pyridylazo)-5-(N-propyl-N-sulphopropyl)phenol disodium salt; Nitro PAPS
• Molecular Formula: C₁₇H₁₉N₅Na₂O₆S
• Molecular Weight: 467.41
• CAS Registry Number: 115408-94-1
• SMILES: [Na+].[Na+].[O-]S(=O)(=O)CCCN(c2ccc(/N=N/c1ncc(cc1)[N+]([O-])=O)c([O-])c2)CCC
• InChI: 1S/C17H21N5O6S.2Na/c1-2-8-21(9-3-10-29(26,27)28)13-4-6-15(16(23)11-13)19-20-17-7-5-14(12-18-17)22(24)25;;/h4-7,11-12,23H,2-3,8-10H2,1H3,(H,26,27,28);;/q;2*+1/p-2/b20-19+
• InChIKey: YGNYDGHRNNUMAZ-LLIZZRELSA-L

Properties

• Refractive index: (Cal.)