(S)-2-Amino-2-ethyloctanoic acid ethyl ester

Base Information

• Chemical Name: (S)-2-Amino-2-ethyloctanoic acid ethyl ester
• CAS No.: 164453-65-0
• Molecular Formula: C12H25NO2
• Molecular Weight: 215.33
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID40435670
• Nikkaji Number: J655.272B
• Wikidata: Q82250728
• Mol file: 164453-65-0.mol

Synonyms:164453-65-0;(S)-2-Amino-2-ethyloctanoic acid ethyl ester;ethyl (2S)-2-amino-2-ethyloctanoate;(S)-Ethyl 2-amino-2-ethyloctanoate;DTXSID40435670;Ethyl(S)-2-amino-2-ethyloctanoate;2,6-Diethyl-L-norleucine ethyl ester;ETHYL (S)-2-AMINO-2-ETHYLOCTANOATE

Chemical Property of (S)-2-Amino-2-ethyloctanoic acid ethyl ester

Chemical Property:

• Boiling Point: 270.7±13.0 °C(Predicted)
• PKA: 8.39±0.25(Predicted)
• PSA: 52.32000
• Density: 0.920±0.06 g/cm3(Predicted)
• LogP: 3.32770
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 215.188529040
• Heavy Atom Count: 15
• Complexity: 183

Purity/Quality:

99%min ^*data from raw suppliers

(S)-2-AMINO-2-ETHYLOCTANOIC ACID ETHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(CC)(C(=O)OCC)N
• Isomeric SMILES: CCCCCC[C@@](CC)(C(=O)OCC)N