Homocarnosine

Base Information

• Chemical Name: Homocarnosine
• CAS No.: 20314-38-9
• Molecular Formula: C11H18N4O3
• Molecular Weight: 254.2856
• UNII: M8L4BH36SC
• DSSTox Substance ID: DTXSID50942461
• Nikkaji Number: J14.557B
• Wikidata: Q27158831
• Metabolomics Workbench ID: 37403
• ChEMBL ID: CHEMBL243618
• Mol file: 20314-38-9.mol

Synonyms:gamma-aminobutyryl-L-histidine;homocarnosine;homocarnosine sulfate

Chemical Property of Homocarnosine

Chemical Property:

• Vapor Pressure: 1.07E-15mmHg at 25°C
• Boiling Point: 609.3°Cat760mmHg
• Flash Point: 322.3°C
• Density: 1.34g/cm³
• XLogP3: -3.6
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 240.12224039
• Heavy Atom Count: 17
• Complexity: 272

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: C1=C(NC=N1)CC(C(=O)O)NC(=O)CCCN
• Isomeric SMILES: C1=C(NC=N1)C[C@@H](C(=O)O)NC(=O)CCCN

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