N,N-Diethyl-11H-dibenzo(b,e)(1,4)oxathiepin-11-ethanamine

Base Information

• Chemical Name: N,N-Diethyl-11H-dibenzo(b,e)(1,4)oxathiepin-11-ethanamine
• CAS No.: 81320-29-8
• Molecular Formula: C19H23NOS
• Molecular Weight: 313.45702
• DSSTox Substance ID: DTXSID901001919
• Mol file: 81320-29-8.mol

Synonyms:N,N-Diethyl-11H-dibenzo(b,e)(1,4)oxathiepin-11-ethanamine;81320-29-8;11H-Dibenzo(b,e)(1,4)oxathiepin-11-ethanamine, N,N-diethyl-;N-Diethyl 2-(dibenzo(b,e) 1,4-thioxepin-11-yl)ethylamine [French];N-Diethyl 2-(dibenzo(b,e) 1,4-thioxepin-11-yl)ethylamine;DTXSID901001919;LS-61133;2-(11H-Dibenzo[b,e][1,4]oxathiepin-11-yl)-N,N-diethylethan-1-amine

Chemical Property of N,N-Diethyl-11H-dibenzo(b,e)(1,4)oxathiepin-11-ethanamine

Chemical Property:

• Vapor Pressure: 5.7E-07mmHg at 25°C
• Boiling Point: 411.2°C at 760 mmHg
• Flash Point: 202.5°C
• PSA: 37.77000
• Density: 1.099g/cm³
• LogP: 5.00320
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 313.15003553
• Heavy Atom Count: 22
• Complexity: 333

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CCC1C2=CC=CC=C2SC3=CC=CC=C3O1

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