Histargin

Base Information

• Chemical Name: Histargin
• CAS No.: 93361-66-1
• Molecular Formula: C14H25 N7 O4
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID10239389
• Nikkaji Number: J134.055G
• Wikidata: Q83121739
• Metabolomics Workbench ID: 98371
• Mol file: 93361-66-1.mol

Synonyms:histargin;N-(1-carboxy-4-guanidinobutyl)-N'-(1-carboxy-2-(imidazol-4-yl)ethyl)ethylenediamine

Chemical Property of Histargin

Chemical Property:

• Vapor Pressure: 6.23E-23mmHg at 25°C
• Boiling Point: 739°Cat760mmHg
• Flash Point: 400.7°C
• PSA: 189.24000
• Density: 1.5g/cm³
• LogP: 0.27380
• XLogP3: -6.6
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 13
• Exact Mass: 355.19680230
• Heavy Atom Count: 25
• Complexity: 457

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

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

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