Acid blue 1

• Catalog Number: ACM129179
• CAS: 129-17-9
• IUPAC Name: sodium;4-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]benzene-1,3-disulfonate
• Synonyms: Ethanaminium, N-(4-((4-(diethylamino)phenyl)(2,4-disulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, hydroxide, inner salt, sodium salt
• Molecular Weight: 566.66
• Molecular Formula: C27H31N2NaO6S2
• Canonical SMILES: CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=C(C=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+]
• InChI: SJEYSFABYSGQBG-UHFFFAOYSA-M
• InChI Key: InChI=1S/C27H32N2O6S2.Na/c1-5-28(6-2)22-13-9-20(10-14-22)27(21-11-15-23(16-12-21)29(7-3)8-4)25-18-17-24(36(30,31)32)19-26(25)37(33,34)35;/h9-19H,5-8H2,1-4H3,(H-,30,31,32,33,34,35);/q;+1/p-1
• Melting Point: >250°C
• Density: 6.9 (10g/l, H2O, 20°C)
• Active Content: 95%
• Physical State: Solid