1-[3-(3-Methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine

Base Information

• Chemical Name: 1-[3-(3-Methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
• CAS No.: 890324-13-7
• Molecular Formula: C10H12ClN3O
• Molecular Weight: 225.67478
• DSSTox Substance ID: DTXSID90589475
• Wikidata: Q82482867
• Mol file: 890324-13-7.mol

Synonyms:1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine;890324-13-7;[3-(3-METHYLPHENYL)-1,2,4-OXADIAZOL-5-YL]METHANAMINE;[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamine hydrochloride;DTXSID90589475;MFCD07087653;STK501866;AKOS004119054;AB30554;BS-36002

Chemical Property of 1-[3-(3-Methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 348.182°C at 760 mmHg
• Flash Point: 164.375°C
• PSA: 64.94000
• Density: 1.181g/cm³
• LogP: 3.00600
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 189.090211983
• Heavy Atom Count: 14
• Complexity: 188

Purity/Quality:

NLT 98% ^*data from raw suppliers

[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)C2=NOC(=N2)CN