1-Methyl-5-((3-(3-(1-piperidinylmethyl)phenoxy)propyl)amino)-1H-1,2,4-triazole-3-carboxylic acid

Base Information

• Chemical Name: 1-Methyl-5-((3-(3-(1-piperidinylmethyl)phenoxy)propyl)amino)-1H-1,2,4-triazole-3-carboxylic acid
• CAS No.: 80343-52-8
• Molecular Formula: C19H27N5O3
• Molecular Weight: 373.4494
• DSSTox Substance ID: DTXSID301001173
• Wikidata: Q82994999
• Mol file: 80343-52-8.mol

Synonyms:80343-52-8;1-Methyl-5-((3-(3-(1-piperidinylmethyl)phenoxy)propyl)amino)-1H-1,2,4-triazole-3-carboxylic acid;SCHEMBL10751176;DTXSID301001173;1H-1,2,4-Triazole-3-carboxylic acid, 1-methyl-5-((3-(3-(1-piperidinylmethyl)phenoxy)propyl)amino)-;1-Methyl-5-[(3-{3-[(piperidin-1-yl)methyl]phenoxy}propyl)imino]-4,5-dihydro-1H-1,2,4-triazole-3-carboxylic acid

Chemical Property of 1-Methyl-5-((3-(3-(1-piperidinylmethyl)phenoxy)propyl)amino)-1H-1,2,4-triazole-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 3E-15mmHg at 25°C
• Boiling Point: 600.1°Cat760mmHg
• Flash Point: 316.7°C
• PSA: 95.74000
• Density: 1.29g/cm³
• LogP: 1.74000
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 373.21138974
• Heavy Atom Count: 27
• Complexity: 461

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=NC(=N1)C(=O)O)NCCCOC2=CC=CC(=C2)CN3CCCCC3