1-(3,4-Dihydro-2(1H)-Isoquinolinyl)Ethanone
[CAS# 14028-67-2]

Identification

• Name: 1-(3,4-Dihydro-2(1H)-Isoquinolinyl)Ethanone
• Synonyms: 1-(3,4-Dihydro-1H-isoquinolin-2-yl)-ethanone; 2-acetyl-1,2,3,4-tetrahydroisoquinoline
• Molecular Formula: C₁₁H₁₃NO
• Molecular Weight: 175.23
• CAS Registry Number: 14028-67-2
• SMILES: CC(=O)N1CCC2=CC=CC=C2C1
• InChI: 1S/C11H13NO/c1-9(13)12-7-6-10-4-2-3-5-11(10)8-12/h2-5H,6-8H2,1H3
• InChIKey: JBPPSLURCSFQDH-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 337.4±31.0°C at 760 mmHg (Cal.)
• Flash point: 139.2±15.4°C (Cal.)
• Refractive index: 1.559 (Cal.)

References

• (1): Renner et al.. Bioactivity-Guided Mapping and Navigation of Chemical Space, Nature Chemical Biology, 2009