(2S)-2-Amino-4-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]carbamoyl]butanoic acid

Base Information

• Chemical Name: (2S)-2-Amino-4-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]carbamoyl]butanoic acid
• CAS No.: 99633-82-6
• Molecular Formula: C13H18N2O5
• Molecular Weight: 282.2924
• DSSTox Substance ID: DTXSID60912579
• Mol file: 99633-82-6.mol

Synonyms:gamma-glutamyl octopamine

Chemical Property of (2S)-2-Amino-4-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]carbamoyl]butanoic acid

Chemical Property:

• Vapor Pressure: 4.23E-18mmHg at 25°C
• Boiling Point: 656°Cat760mmHg
• Flash Point: 350.5°C
• PSA: 0.00000
• Density: 1.369g/cm³
• LogP: 0.00000
• XLogP3: -3.3
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 282.12157168
• Heavy Atom Count: 20
• Complexity: 329

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(CNC(=O)CCC(C(=O)O)N)O)O
• Isomeric SMILES: C1=CC(=CC=C1C(CNC(=O)CC[C@@H](C(=O)O)N)O)O

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