3-Benzofuro(3,2-c)(1)Benzoxepin-6(12H)-Ylidene-N,N-Dimethyl-1-Propanamine (E)-2-Butenedioate (1:1)
[CAS# 34522-46-8]

Identification

• Name: 3-Benzofuro(3,2-c)(1)Benzoxepin-6(12H)-Ylidene-N,N-Dimethyl-1-Propanamine (E)-2-Butenedioate (1:1)
• Synonyms: L 6257; N,N-Dimethylbenzofuro(3,2-C)(1)Benzoxepin-Delta(Sup 6(12H),Gamma)-Propylamine Fumarate (1:1); Nocertone
• Molecular Formula: C₂₅H₂₅NO₆
• Molecular Weight: 435.48
• CAS Registry Number: 34522-46-8
• SMILES: C1=CC=CC2=C1C4=C(O2)\C(C3=CC=CC=C3OC4)=C/CCN(C)C.O=C(O)\C=C\C(=O)O
• InChI: 1S/C21H21NO2.C4H4O4/c1-22(2)13-7-10-17-15-8-3-5-11-19(15)23-14-18-16-9-4-6-12-20(16)24-21(17)18;5-3(6)1-2-4(7)8/h3-6,8-12H,7,13-14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b17-10-;2-1+
• InChIKey: DQHRYCOJUKGIDH-BGDNCSMFSA-N

Properties

• Boiling point: 462.7°C at 760 mmHg (Cal.)
• Flash point: 233.6°C (Cal.)