(3Z)-3-(Dibenzo[b,e]Oxepin-11(6H)-Ylidene)-N,N-Dimethyl-1-Propanamine
[CAS# 3607-18-9]

Identification

• Name: (3Z)-3-(Dibenzo[b,e]Oxepin-11(6H)-Ylidene)-N,N-Dimethyl-1-Propanamine
• Synonyms: (3E)-3-dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimethylpropan-1-amine; (3Z)-3-dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimethylpropan-1-amine; (3Z)-3-dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimethylpropan-1-amine; 11-(3-Dimethylaminopropylidene)-6,11-dihydrodibenz(b,e)oxipin
• Molecular Formula: C₁₉H₂₁NO
• Molecular Weight: 279.38
• CAS Registry Number: 3607-18-9
• SMILES: CN(C)CC/C=C\1/C2=CC=CC=C2COC3=CC=CC=C31
• InChI: 1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11-
• InChIKey: ODQWQRRAPPTVAG-BOPFTXTBSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 413.3±44.0°C at 760 mmHg (Cal.)
• Flash point: 121.3±30.8°C (Cal.)

References

• (1): Igor V. Tetko, Vsevolod Yu. Tanchuk, Tamara N. Kasheva, and Alessandro E. P. Villa. Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices, J. Chem. Inf. Comput. Sci., 2001, 41 (6), pp 1488–1493