5-Amino-1,3-Cyclohexadiene-1-Carboxylic acid
[CAS# 59556-18-2]

Identification

• Name: 5-Amino-1,3-Cyclohexadiene-1-Carboxylic acid
• Synonyms: 5-Amino-1-Cyclohexa-1,3-Dienecarboxylic Acid; Gabaculine; 1,3-Cyclohexadienylcarboxylic Acid, 5-Amino-
• Molecular Formula: C₇H₉NO₂
• Molecular Weight: 139.15
• CAS Registry Number: 59556-18-2
• SMILES: O=C(C1=CC=CC(C1)N)O
• InChI: 1S/C7H9NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-3,6H,4,8H2,(H,9,10)
• InChIKey: KFNRJXCQEJIBER-UHFFFAOYSA-N

Properties

• Density: 1.255g/cm³ (Cal.)
• Boiling point: 304.644°C at 760 mmHg (Cal.)
• Flash point: 138.044°C (Cal.)