2-Chloro-N,N-diethyl-11H-dibenzo(b,e)(1,4)dioxepin-11-ethanamine (E)-2-butenedioate (1:1)

Base Information

• Chemical Name: 2-Chloro-N,N-diethyl-11H-dibenzo(b,e)(1,4)dioxepin-11-ethanamine (E)-2-butenedioate (1:1)
• CAS No.: 81320-21-0
• Molecular Formula: C23H26ClNO6
• Molecular Weight: 447.9086

Synonyms:2-Chloro-N,N-diethyl-11H-dibenzo(b,e)(1,4)dioxepin-11-ethanamine (E)-2-butenedioate (1:1);11H-Dibenzo(b,e)(1,4)dioxepin-11-ethanamine, 2-chloro-N,N-diethyl-, (E)-2-butenedioate (1:1);N-Diethyl 2-(2-chlorodibenzo(b,e) 1,4-dioxepin-11-yl)ethylamine fumarate [French];N-Diethyl 2-(2-chlorodibenzo(b,e) 1,4-dioxepin-11-yl)ethylamine fumarate;81320-21-0;LS-60974

Chemical Property of 2-Chloro-N,N-diethyl-11H-dibenzo(b,e)(1,4)dioxepin-11-ethanamine (E)-2-butenedioate (1:1)

Chemical Property:

• Vapor Pressure: 3.71E-07mmHg at 25°C
• Boiling Point: 416.8°C at 760 mmHg
• Flash Point: 205.9°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 447.1448652
• Heavy Atom Count: 31
• Complexity: 482

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CCC1C2=C(C=CC(=C2)Cl)OC3=CC=CC=C3O1.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CCN(CC)CCC1C2=C(C=CC(=C2)Cl)OC3=CC=CC=C3O1.C(=C/C(=O)O)\C(=O)O

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