1-Hexahydroazepinecarboxylic acid, 4-ethoxycarbonyloxy-, ethyl ester

Base Information

• Chemical Name: 1-Hexahydroazepinecarboxylic acid, 4-ethoxycarbonyloxy-, ethyl ester
• CAS No.: 109386-73-4
• Molecular Formula: C₁₂H₂₁NO₅
• Molecular Weight: 259.302
• DSSTox Substance ID: DTXSID801174080

Synonyms:DTXSID801174080;1-Hexahydroazepinecarboxylic acid, 4-ethoxycarbonyloxy-, ethyl ester;109386-73-4;Ethyl 4-[(ethoxycarbonyl)oxy]-1-azepanecarboxylate #;Ethyl 4-[(ethoxycarbonyl)oxy]hexahydro-1H-azepine-1-carboxylate

Chemical Property of 1-Hexahydroazepinecarboxylic acid, 4-ethoxycarbonyloxy-, ethyl ester

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 259.14197277
• Heavy Atom Count: 18
• Complexity: 282

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)N1CCCC(CC1)OC(=O)OCC

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