Butanoic acid, 2-amino-4-cyano-, 1,1-dimethylethyl ester, (2S)-

Base Information

• Chemical Name: Butanoic acid, 2-amino-4-cyano-, 1,1-dimethylethyl ester, (2S)-
• CAS No.: 824956-17-4
• Molecular Formula: C9H16N2O2
• Molecular Weight: 184.238
• DSSTox Substance ID: DTXSID10458674
• Wikidata: Q82282144

Synonyms:824956-17-4;Butanoic acid, 2-amino-4-cyano-, 1,1-dimethylethyl ester, (2S)-;DTXSID10458674

Chemical Property of Butanoic acid, 2-amino-4-cyano-, 1,1-dimethylethyl ester, (2S)-

Chemical Property:

• Boiling Point: 287.8±30.0 °C(Predicted)
• PSA: 76.11000
• Density: 1.034±0.06 g/cm3(Predicted)
• LogP: 1.65948
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 184.121177757
• Heavy Atom Count: 13
• Complexity: 222

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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