(S)-3-Aminopropane-1,1,3-tricarboxylic acid 1,1-di-tert-butyl ester

Base Information

• Chemical Name: (S)-3-Aminopropane-1,1,3-tricarboxylic acid 1,1-di-tert-butyl ester
• CAS No.: 60686-51-3
• Molecular Formula: C14H25NO6
• Molecular Weight: 303.356
• DSSTox Substance ID: DTXSID001161479
• Nikkaji Number: J2.260.313B
• Mol file: 60686-51-3.mol

Synonyms:DTXSID001161479;(S)-3-Aminopropane-1,1,3-tricarboxylic acid 1,1-di-tert-butyl ester;1,1-Bis(1,1-dimethylethyl) (3S)-3-amino-1,1,3-propanetricarboxylate;60686-51-3

Chemical Property of (S)-3-Aminopropane-1,1,3-tricarboxylic acid 1,1-di-tert-butyl ester

Chemical Property:

• Boiling Point: 426.8±45.0 °C(Predicted)
• PSA: 115.92000
• Density: 1.141±0.06 g/cm3(Predicted)
• LogP: 1.78830
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 303.16818752
• Heavy Atom Count: 21
• Complexity: 377

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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