2-Amino-3-methylimidazo-(4,5-f)quinoline N-glucuronide

Base Information

• Chemical Name: 2-Amino-3-methylimidazo-(4,5-f)quinoline N-glucuronide
• CAS No.: 122719-39-5
• Molecular Formula: C17H18 N4 O6
• Molecular Weight: 374.348
• DSSTox Substance ID: DTXSID40153685
• Nikkaji Number: J527.874K
• Wikidata: Q83020679
• Mol file: 122719-39-5.mol

Synonyms:2-amino-3-methylimidazo-(4,5-f)quinoline N-glucuronide;2-IQ-glucuronide

Chemical Property of 2-Amino-3-methylimidazo-(4,5-f)quinoline N-glucuronide

Chemical Property:

• Vapor Pressure: 2.3E-23mmHg at 25°C
• Boiling Point: 745.8°Cat760mmHg
• Flash Point: 404.9°C
• PSA: 149.96000
• Density: 1.79g/cm³
• LogP: -0.50140
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 374.12263431
• Heavy Atom Count: 27
• Complexity: 568

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(C3=C(C=C2)N=CC=C3)N=C1NC4C(C(C(C(O4)C(=O)O)O)O)O
• Isomeric SMILES: CN1C2=C(C3=C(C=C2)N=CC=C3)N=C1N[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O