Methyl [1-(chloroacetyl)-3-oxodecahydroquinoxalin-2-yl]acetate

Base Information

• Chemical Name: Methyl [1-(chloroacetyl)-3-oxodecahydroquinoxalin-2-yl]acetate
• CAS No.: 1008857-93-9
• Molecular Formula: C13H19ClN2O4
• Molecular Weight: 302.75
• DSSTox Substance ID: DTXSID501181690
• ChEMBL ID: CHEMBL1557856
• Mol file: 1008857-93-9.mol

Synonyms:methyl [1-(chloroacetyl)-3-oxodecahydroquinoxalin-2-yl]acetate;1008857-93-9;methyl 2-[1-(2-chloroacetyl)-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-yl]acetate;MFCD03904375;MLS000762373;CHEMBL1557856;DTXSID501181690;HMS2809B22;BBL012901;STK803351;AKOS000270158;AKOS016039880;SMR000437951;VS-03578;CS-0313763;SR-01000769358;SR-01000769358-2;Methyl 1-(2-chloroacetyl)decahydro-3-oxo-2-quinoxalineacetate;methyl[1-(chloroacetyl)-3-oxodecahydroquinoxalin-2-yl]acetate;Methyl 2-(1-(2-chloroacetyl)-3-oxodecahydroquinoxalin-2-yl)acetate;methyl 2-[1-(2-chloroacetyl)-3-oxodecahydro-2-quinoxalinyl]acetate;methyl 2-[1-(2-chloroacetyl)-3-oxo-decahydroquinoxalin-2-yl]acetate;[1-(2-Chloro-acetyl)-3-oxo-decahydro-quinoxalin-2-yl]-acetic acid methyl ester

Chemical Property of Methyl [1-(chloroacetyl)-3-oxodecahydroquinoxalin-2-yl]acetate

Chemical Property:

• PKA: 13.39±0.40(Predicted)
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 302.1033348
• Heavy Atom Count: 20
• Complexity: 415

Purity/Quality:

97% ^*data from raw suppliers

Methyl [1-(chloroacetyl)-3-oxodecahydroquinoxalin-2-yl]acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)CC1C(=O)NC2CCCCC2N1C(=O)CCl