3-(Hexahydro-1H-Azepin-1-Yl)-1-(4-Propoxyphenyl)Propan-1-One
[CAS# 16689-12-6]

Identification

• Name: 3-(Hexahydro-1H-Azepin-1-Yl)-1-(4-Propoxyphenyl)Propan-1-One
• Synonyms: 3-(1-Azepanyl)-1-(4-Propoxyphenyl)Propan-1-One; St038055; 1-Propanone, 3-(Hexahydro-1H-Azepin-1-Yl)-1-(4-Propoxyphenyl)-
• Molecular Formula: C₁₈H₂₇NO₂
• Molecular Weight: 289.42
• CAS Registry Number: 16689-12-6
• SMILES: C1=C(C=CC(=C1)OCCC)C(CCN2CCCCCC2)=O
• InChI: 1S/C18H27NO2/c1-2-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-3-4-6-13-19/h7-10H,2-6,11-15H2,1H3
• InChIKey: XJLSIHLNCRSPKR-UHFFFAOYSA-N

Properties

• Density: 1.013g/cm³ (Cal.)
• Boiling point: 426.228°C at 760 mmHg (Cal.)
• Flash point: 211.576°C (Cal.)