3-Imino-2-Indolinone
[CAS# 612-53-3]

Identification

• Name: 3-Imino-2-Indolinone
• Synonyms: 3-Amino-2-Indolone; Nsc15435
• Molecular Formula: C₈H₆N₂O
• Molecular Weight: 146.15
• CAS Registry Number: 612-53-3
• SMILES: O=C1N=C2C(=C1N)C=CC=C2
• InChI: 1S/C8H6N2O/c9-7-5-3-1-2-4-6(5)10-8(7)11/h1-4H,(H2,9,10,11)
• InChIKey: DPUCWQUWEJBKPK-UHFFFAOYSA-N

Properties

• Density: 1.42g/cm³ (Cal.)
• Boiling point: 343.657°C at 760 mmHg (Cal.)
• Flash point: 161.638°C (Cal.)

References

• (1): Philip Prathipati, Ngai Ling Ma* and Thomas H. Keller. Global Bayesian Models for the Prioritization of Antitubercular Agents, J. Chem. Inf. Model., 2008, 48 (12), pp 2362–2370