3-(Allyloxy)aniline
[CAS# 74900-81-5]

Identification

• Name: 3-(Allyloxy)aniline
• Synonyms: [3-(allyloxy)phenyl]amine; 3-(allyloxy)aniline; 3-(allyloxy)phenylamine
• Molecular Formula: C₉H₁₁NO
• Molecular Weight: 149.19
• CAS Registry Number: 74900-81-5
• SMILES: C=CCOC1=CC=CC(=C1)N
• InChI: 1S/C9H11NO/c1-2-6-11-9-5-3-4-8(10)7-9/h2-5,7H,1,6,10H2
• InChIKey: HQZRFXBFXJEYID-UHFFFAOYSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 277.0±15.0°C at 760 mmHg (Cal.)
• Flash point: 131.2±13.6°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