1-Tert-butyl 3-methyl 1,4-diazepane-1,3-dicarboxylate

Base Information

• Chemical Name: 1-Tert-butyl 3-methyl 1,4-diazepane-1,3-dicarboxylate
• CAS No.: 1253789-07-9
• Molecular Formula: C12H22N2O4
• Molecular Weight: 258.31
• European Community (EC) Number: 823-858-5
• Mol file: 1253789-07-9.mol

Synonyms:1253789-07-9;1-tert-butyl 3-methyl 1,4-diazepane-1,3-dicarboxylate;1-tert-butyl 3-methyl 1,4-diazepane-1,3-dicarboxylate-HCl;Methyl 1-Boc-1,4-diazepane-3-carboxylate;MFCD12755515;1-O-tert-butyl 3-O-methyl 1,4-diazepane-1,3-dicarboxylate;SCHEMBL22034363;AC3393;AKOS015851404;AS-78302;SY201012;FT-0774496;EN300-209520;A921215;Z1505695282

Chemical Property of 1-Tert-butyl 3-methyl 1,4-diazepane-1,3-dicarboxylate

Chemical Property:

• PKA: 8.40±0.40(Predicted)
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 258.15795719
• Heavy Atom Count: 18
• Complexity: 312

Purity/Quality:

99%min ^*data from raw suppliers

Hexahydro-1H-1,4-diazepine-1,3-dicarboxylicAcid1-(1,1-Dimethylethyl)3-MethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCCNC(C1)C(=O)OC
• Uses: Hexahydro-1H-1,4-diazepine-1,3-dicarboxylic Acid 1-(1,1-Dimethylethyl) 3-Methyl Ester is a useful intermediate.