3-Benzyl-7-Butylamino-4-Methyl-Chromen-2-One
[CAS# 7509-71-9]

Identification

• Name: 3-Benzyl-7-Butylamino-4-Methyl-Chromen-2-One
• Synonyms: 7-Butylamino-4-Methyl-3-(Phenylmethyl)-2-Chromenone; 3-(Benzyl)-7-Butylamino-4-Methyl-Coumarin; Nsc408163
• Molecular Formula: C₂₁H₂₃NO₂
• Molecular Weight: 321.42
• CAS Registry Number: 7509-71-9
• SMILES: C1=C(C=CC2=C1OC(C(=C2C)CC3=CC=CC=C3)=O)NCCCC
• InChI: 1S/C21H23NO2/c1-3-4-12-22-17-10-11-18-15(2)19(21(23)24-20(18)14-17)13-16-8-6-5-7-9-16/h5-11,14,22H,3-4,12-13H2,1-2H3
• InChIKey: GYUMLYPKSZXQIW-UHFFFAOYSA-N

Properties

• Density: 1.146g/cm³ (Cal.)
• Boiling point: 505.498°C at 760 mmHg (Cal.)
• Flash point: 259.516°C (Cal.)