Boc-beta-cyano-D-alanine

Base Information

• Chemical Name: Boc-beta-cyano-D-alanine
• CAS No.: 184685-17-4
• Molecular Formula: C9H14 N2 O4
• Molecular Weight: 214.22
• Hs Code.: 2924190090
• DSSTox Substance ID: DTXSID10427148
• Wikidata: Q82239864
• Mol file: 184685-17-4.mol

Synonyms:184685-17-4;Boc-beta-cyano-D-alanine;Boc-beta-cyano-D-Ala-OH;(R)-2-((tert-Butoxycarbonyl)amino)-3-cyanopropanoic acid;(2R)-3-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid;MFCD00236830;Boc--cyano-D-Ala-OH;Boc-D-Ala(3-CN)-OH;SCHEMBL1952503;DTXSID10427148;IVKMLPKBZQTAMQ-ZCFIWIBFSA-N;AKOS027251071;FD21130;AS-48969;(R)-2-(Boc-amino)-3-cyanopropionic acid;CS-0449233;(R)-2-((tert-Butoxycarbonyl)amino)-3-cyanopropanoicacid;(R)-2-(tert-butoxycarbonylamino)-3-cyanopropanoic acid;PROPANOIC ACID,3-CYANO-2-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-, (2R)-

Chemical Property of Boc-beta-cyano-D-alanine

Chemical Property:

• PSA: 99.42000
• LogP: 1.26888
• Storage Temp.: -15°C
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 214.09535693
• Heavy Atom Count: 15
• Complexity: 297

Purity/Quality:

98% ^*data from raw suppliers

Boc-beta-cyano-D-alanine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC(CC#N)C(=O)O
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@H](CC#N)C(=O)O