5-(N-Methyl-N-isobutyl)amiloride

Base Information

• Chemical Name: 5-(N-Methyl-N-isobutyl)amiloride
• CAS No.: 96861-65-3
• Molecular Formula: C11H18 Cl N7 O
• Molecular Weight: 299.76
• European Community (EC) Number: 635-555-3
• DSSTox Substance ID: DTXSID50242594
• Nikkaji Number: J245.922A
• Pharos Ligand ID: L78Q5XACCQK7
• ChEMBL ID: CHEMBL1256180
• Mol file: 96861-65-3.mol

Synonyms:5-(N-methyl-N-isobutyl)amiloride;5-NMNIA;methylisobutylamiloride

Chemical Property of 5-(N-Methyl-N-isobutyl)amiloride

Chemical Property:

• Vapor Pressure: 6.83E-12mmHg at 25°C
• Boiling Point: 543.9°Cat760mmHg
• PKA: 8.96±0.46(Predicted)
• Flash Point: 282.8°C
• PSA: 134.01000
• Density: 1.49g/cm³
• LogP: 2.34230
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 299.1261359
• Heavy Atom Count: 20
• Complexity: 372

Purity/Quality:

95% ^*data from raw suppliers

MIA ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)CN(C)C1=NC(=C(N=C1Cl)C(=O)N=C(N)N)N
• Uses: 5-(N-Methyl-N-isobutyl)-Amiloride is an NHE inhibitor. Inhibits bacterial and mitochondrial NADH-quinone oxidoreductase (complex I).

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