Sodium 2,3,3-Trimethyl-3H-Indole-5-Carboxylate
[CAS# 84100-85-6]

Identification

• Name: Sodium 2,3,3-Trimethyl-3H-Indole-5-Carboxylate
• Synonyms: Sodium 2,3,3-Trimethyl-5-Indolecarboxylate; Sodium 2,3,3-Trimethyl-3H-Indole-5-Carboxylate
• Molecular Formula: C₁₂H₁₂NNaO₂
• Molecular Weight: 225.22
• CAS Registry Number: 84100-85-6
• EINECS: 282-164-5
• SMILES: C1=C(C=CC2=C1C(C(=N2)C)(C)C)C([O-])=O.[Na+]
• InChI: 1S/C12H13NO2.Na/c1-7-12(2,3)9-6-8(11(14)15)4-5-10(9)13-7;/h4-6H,1-3H3,(H,14,15);/q;+1/p-1
• InChIKey: QUBPVVRIJHDUSZ-UHFFFAOYSA-M

Properties

• Boiling point: 350.2°C at 760 mmHg (Cal.)
• Flash point: 165.6°C (Cal.)