Histidinal

Base Information

• Chemical Name: Histidinal
• CAS No.: 23784-15-8
• Molecular Formula: C6H9 N3 O
• Molecular Weight: 139.16
• UNII: J7G22NER35
• DSSTox Substance ID: DTXSID10946581
• Nikkaji Number: J36.234D
• Wikidata: Q27103256
• Metabolomics Workbench ID: 51415
• ChEMBL ID: CHEMBL307302
• Mol file: 23784-15-8.mol

Synonyms:histidinal;histidinaldehyde;L-histidinaldehyde

Chemical Property of Histidinal

Chemical Property:

• Vapor Pressure: 4.46E-05mmHg at 25°C
• Boiling Point: 350.2°Cat760mmHg
• Flash Point: 165.6°C
• PSA: 71.77000
• Density: 1.246g/cm³
• LogP: 0.17870
• XLogP3: -1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 139.074561919
• Heavy Atom Count: 10
• Complexity: 118

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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