Didemethyldoxepin

Base Information

• Chemical Name: Didemethyldoxepin
• CAS No.: 5626-16-4
• Molecular Formula: C17H17NO
• Molecular Weight: 251.35
• DSSTox Substance ID: DTXSID101344084
• Nikkaji Number: J489.837K
• Wikidata: Q76325307
• Mol file: 5626-16-4.mol

Synonyms:Didemethyldoxepin;5626-16-4;KS 1675;(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propan-1-amine;1-Propanamine, 3-dibenz(b,e)oxepin-11(6H)-ylidene-;Dibenz(b,e)oxepin-delta(sup 11(6H)), gamma-propylamine;1-Propanamine, 3-dibenz[b,e]oxepin-11(6H)-ylidene-;DIBENZ(b,e)OXEPIN-delta(sup 11(6H)),gamma-PROPYLAMINE;SCHEMBL21172138;DTXSID101344084;LS-61637;(3Z)-3-(Dibenzo[b,e]oxepin-11(6H)-ylidene)-1-propanamine

Chemical Property of Didemethyldoxepin

Chemical Property:

• Vapor Pressure: 3.23E-07mmHg at 25°C
• Refractive Index: 1.5400 (estimate)
• Boiling Point: 418.6°C at 760 mmHg
• Flash Point: 213.8°C
• PSA: 35.25000
• Density: 1.184g/cm³
• LogP: 4.05980
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 251.131014166
• Heavy Atom Count: 19
• Complexity: 325

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=CC=CC=C2C(=CCCN)C3=CC=CC=C3O1
• Isomeric SMILES: C1C2=CC=CC=C2/C(=C/CCN)/C3=CC=CC=C3O1