Cyclohexanamine - 5-bromo-1H-indol-3-yl beta-D-glucopyranosiduronic acid (1:1)
[CAS# 199326-16-4]

Identification

• Name: Cyclohexanamine - 5-bromo-1H-indol-3-yl beta-D-glucopyranosiduronic acid (1:1)
• Synonyms: 5-Bromo-3-indolyl β-D-glucuronide cyclohexylammonium salt; 5-Bromo-3-indolyl-β-D-glucuronide cyclohexylammonium salt; Blue-glucuronide CHA salt
• Molecular Formula: C₂₀H₂₇BrN₂O₇
• Molecular Weight: 487.34
• CAS Registry Number: 199326-16-4
• SMILES: c1cc2c(cc1Br)c(c[nH]2)OC3C(C(C(C(O3)C(=O)O)O)O)O.C1CCC(CC1)N
• InChI: 1S/C14H14BrNO7.C6H13N/c15-5-1-2-7-6(3-5)8(4-16-7)22-14-11(19)9(17)10(18)12(23-14)13(20)21;7-6-4-2-1-3-5-6/h1-4,9-12,14,16-19H,(H,20,21);6H,1-5,7H2/t9-,10-,11+,12-,14+;/m0./s1
• InChIKey: LKAVZDZYVBJWCJ-CYRSAHDMSA-N

Properties

• Boiling point: 742°C at 760 mmHg (Cal.)
• Flash point: 402.6°C (Cal.)
• Refractive index: (Cal.)