Methyl 1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxylate

Base Information

• Chemical Name: Methyl 1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxylate
• CAS No.: 66859-22-1
• Molecular Formula: C14H16N2O2
• Molecular Weight: 244.293
• DSSTox Substance ID: DTXSID801178094
• Nikkaji Number: J402.352H

Synonyms:66859-22-1;methyl 1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxylate;Azepino[4,5-b]indole-5-carboxylic acid, 1,2,3,4,5,6-hexahydro-, methyl ester;methyl 1,2,3,4,5,6-hexahydroazepino(4,5-b)indole-5-carboxylate;SCHEMBL7248573;ZWJKWUGXCCUBFM-UHFFFAOYSA-N;DTXSID801178094;1,2,3,4,5,6-Hexahydroazepino[4,5-b]indole-5-carboxylic acid methyl ester;1,2,3,4,5,6-Hexahydro-azepino[4,5-b]indole-5-carboxylic acid methyl ester

Chemical Property of Methyl 1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxylate

Chemical Property:

• Melting Point: 153-154 °C
• Boiling Point: 431.4±45.0 °C(Predicted)
• PSA: 54.12000
• Density: 1.220±0.06 g/cm3(Predicted)
• LogP: 1.89900
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 244.121177757
• Heavy Atom Count: 18
• Complexity: 321

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1CNCCC2=C1NC3=CC=CC=C23

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