N,N-Dimethyl-3-(2-Methyldibenzo[b,e]Thiepin-11(6H)-Ylidene)-1-Propanamine
[CAS# 13448-33-4]

Identification

• Name: N,N-Dimethyl-3-(2-Methyldibenzo[b,e]Thiepin-11(6H)-Ylidene)-1-Propanamine
• Synonyms: Dimethyl-[(3E)-3-(2-Methyl-6H-Benzo[C][1]Benzothiepin-11-Ylidene)Propyl]Amine; 1-Propanamine, N,N-Dimethyl-3-(2-Methyldibenzo(B,E)Thiepin-11(6H)-Ylidene)-; Medosulepine
• Molecular Formula: C₂₀H₂₃NS
• Molecular Weight: 309.47
• CAS Registry Number: 13448-33-4
• SMILES: C1=CC=CC2=C1\C(=C/CCN(C)C)C3=C(SC2)C=CC(=C3)C
• InChI: 1S/C20H23NS/c1-15-10-11-20-19(13-15)18(9-6-12-21(2)3)17-8-5-4-7-16(17)14-22-20/h4-5,7-11,13H,6,12,14H2,1-3H3/b18-9+
• InChIKey: XWRKGMIKFODBDS-GIJQJNRQSA-N

Properties

• Density: 1.131g/cm³ (Cal.)
• Boiling point: 444.786°C at 760 mmHg (Cal.)
• Flash point: 222.799°C (Cal.)