Didesmethyldoxepin
[CAS# 5626-16-4]

Identification

• Name: Didesmethyldoxepin
• Synonyms: [(3Z)-3-(6H-Benzo[C][1]Benzoxepin-11-Ylidene)Propyl]Amine; 1-Propanamine, 3-Dibenz(B,E)Oxepin-11(6H)-Ylidene- (9Ci); Dibenz(B,E)Oxepin-Delta(Sup 11(6H)),Gamma-Propylamine
• Molecular Formula: C₁₇H₁₇NO
• Molecular Weight: 251.33
• CAS Registry Number: 5626-16-4
• SMILES: C1=CC=CC2=C1\C(C3=C(CO2)C=CC=C3)=C/CCN
• InChI: 1S/C17H17NO/c18-11-5-9-15-14-7-2-1-6-13(14)12-19-17-10-4-3-8-16(15)17/h1-4,6-10H,5,11-12,18H2/b15-9-
• InChIKey: HLUSHBJOSPBFOC-DHDCSXOGSA-N

Properties

• Density: 1.184g/cm³ (Cal.)
• Boiling point: 418.621°C at 760 mmHg (Cal.)
• Flash point: 213.801°C (Cal.)