Methyl 4,5-dimethyl-1H-azepine-1-carboxylate

Base Information

• Chemical Name: Methyl 4,5-dimethyl-1H-azepine-1-carboxylate
• CAS No.: 20646-44-0
• Molecular Formula: C10H13NO2
• Molecular Weight: 179.21600
• DSSTox Substance ID: DTXSID10702225
• Nikkaji Number: J114.361A
• Mol file: 20646-44-0.mol

Synonyms:20646-44-0;Methyl 4,5-dimethyl-1H-azepine-1-carboxylate;DTXSID10702225;4,5-Dimethyl-1H-azepine-1-carboxylic acid methyl ester;1H-Azepine-1-carboxylic acid, 4,5-dimethyl-, methyl ester

Chemical Property of Methyl 4,5-dimethyl-1H-azepine-1-carboxylate

Chemical Property:

• PSA: 29.54000
• LogP: 2.37010
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 179.094628657
• Heavy Atom Count: 13
• Complexity: 278

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CN(C=C1)C(=O)OC)C