1-Benzylisoquinoline
[CAS# 6907-59-1]

Identification

• Name: 1-Benzylisoquinoline
• Synonyms: 1-(Benzyl)Isoquinoline; Isoquinoline, 1-Benzyl-; Isoquinoline, 1-(Phenylmethyl)-
• Molecular Formula: C₁₆H₁₃N
• Molecular Weight: 219.29
• CAS Registry Number: 6907-59-1
• SMILES: C3=C(CC1=C2C(=CC=N1)C=CC=C2)C=CC=C3
• InChI: 1S/C16H13N/c1-2-6-13(7-3-1)12-16-15-9-5-4-8-14(15)10-11-17-16/h1-11H,12H2
• InChIKey: IZTUINVRJSCOIR-UHFFFAOYSA-N

Properties

• Density: 1.118g/cm³ (Cal.)
• Boiling point: 370.074°C at 760 mmHg (Cal.)
• Flash point: 162.675°C (Cal.)

References

• (1): Kenneth W. Bentley. β-Phenylethylamines and the isoquinoline alkaloids, Nat. Prod. Rep., 2004, 21, 395.