Homocarnosine

Base Information

• Chemical Name: Homocarnosine
• CAS No.: 3650-73-5
• Molecular Formula: C10H16 N4 O3
• Molecular Weight: 240.26
• Hs Code.: 2933290090
• UNII: M8L4BH36SC
• DSSTox Substance ID: DTXSID50942461
• Nikkaji Number: J14.557B
• Wikidata: Q27158831
• Metabolomics Workbench ID: 37403
• ChEMBL ID: CHEMBL243618
• Mol file: 3650-73-5.mol

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

Chemical Property of Homocarnosine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 646.9°Cat760mmHg
• PKA: 2.99±0.10(Predicted)
• Flash Point: 345.1°C
• PSA: 121.10000
• Density: g/cm³
• LogP: 0.35170
• Storage Temp.: 2-8°C
• 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:

99%, ^*data from raw suppliers

(S)-2-(4-Aminobutanamido)-3-(1H-imidazol-4-yl)propanoicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

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