3-Benzyl-3,4-Dihydro-6-Methyl-2H-1,3-Benzoxazine
[CAS# 52055-73-9]

Identification

• Name: 3-Benzyl-3,4-Dihydro-6-Methyl-2H-1,3-Benzoxazine
• Synonyms: 3-(Benzyl)-6-Methyl-2,4-Dihydro-1,3-Benzoxazine; 2H-1,3-Benzoxazine, 3,4-Dihydro-6-Methyl-3-(Phenylmethyl)-; Nsc146339
• Molecular Formula: C₁₆H₁₇NO
• Molecular Weight: 239.32
• CAS Registry Number: 52055-73-9
• SMILES: C1=C2C(=CC=C1C)OCN(C2)CC3=CC=CC=C3
• InChI: 1S/C16H17NO/c1-13-7-8-16-15(9-13)11-17(12-18-16)10-14-5-3-2-4-6-14/h2-9H,10-12H2,1H3
• InChIKey: VFGSMUQJSKXXKH-UHFFFAOYSA-N

Properties

• Density: 1.124g/cm³ (Cal.)
• Boiling point: 350.72°C at 760 mmHg (Cal.)
• Flash point: 103.569°C (Cal.)

References

• (1): X.-L. Chen and M.-H. Wu. 3-Benzyl-6-methyl-3,4-dihydro-2H-1,3-benzoxazine, Acta Cryst. (2007). E63, o3684