Angustine
[CAS# 40041-96-1]

Identification

• Name: Angustine
• Synonyms: 3,14-Dihydroangustine; Angustine; C09032
• Molecular Formula: C₂₀H₁₅N₃O
• Molecular Weight: 313.36
• CAS Registry Number: 40041-96-1
• SMILES: C1=NC=C2C(=C1C=C)C=C3N(C2=O)CCC4=C3[NH]C5=C4C=CC=C5
• InChI: 1S/C20H15N3O/c1-2-12-10-21-11-16-15(12)9-18-19-14(7-8-23(18)20(16)24)13-5-3-4-6-17(13)22-19/h2-6,9-11,22H,1,7-8H2
• InChIKey: FACXQEOSOVJIPD-UHFFFAOYSA-N

Properties

• Density: 1.401g/cm³ (Cal.)
• Boiling point: 648.213°C at 760 mmHg (Cal.)
• Flash point: 345.827°C (Cal.)