(1-methyl-1H-benzo[d][1,2,3]triazol-5-yl)methanamine

Base Information

• Chemical Name: (1-methyl-1H-benzo[d][1,2,3]triazol-5-yl)methanamine
• CAS No.: 499770-77-3
• Molecular Formula: C8H10N4
• Molecular Weight: 162.19
• Hs Code.: 2933998090
• DSSTox Substance ID: DTXSID40383662
• Wikidata: Q82175450
• Mol file: 499770-77-3.mol

Synonyms:499770-77-3;(1-methyl-1H-benzo[d][1,2,3]triazol-5-yl)methanamine;(1-methylbenzotriazol-5-yl)methanamine;(1-METHYL-1H-1,2,3-BENZOTRIAZOL-5-YL)METHYLAMINE;5-(AMINOMETHYL)-1-METHYL-1H-BENZOTRIAZOLE;(1-methyl-1H-1,2,3-benzotriazol-5-yl)methanamine;SDCCGMLS-0066044.P001;1H-Benzotriazole-5-methanamine,1-methyl-;1-(1-Methyl-1H-benzotriazol-5-yl)methanamine;SCHEMBL904701;DTXSID40383662;QPFIBLSSLODPBG-UHFFFAOYSA-N;AKOS022807811;CS-0127694;FT-0671522;EN300-264792;F1907-0755;(1-methyl-1H-1,2,3-benzotriazol-5-yl)methylamine, AldrichCPR

Chemical Property of (1-methyl-1H-benzo[d][1,2,3]triazol-5-yl)methanamine

Chemical Property:

• Vapor Pressure: 4.31E-05mmHg at 25°C
• Melting Point: 63-67 °C
• Refractive Index: 1.691
• Boiling Point: 350.7 °C at 760 mmHg
• Flash Point: 165.9 °C
• PSA: 56.73000
• Density: 1.34 g/cm³
• LogP: 1.12730
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 162.090546336
• Heavy Atom Count: 12
• Complexity: 161

Purity/Quality:

98%min ^*data from raw suppliers

1-Methyl-1H-benzotriazole-5-methanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C,Xi
• Statements: 41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(C=C(C=C2)CN)N=N1
• Uses: (1-METHYL-1H-1,2,3-BENZOTRIAZOL-5-YL)METHYLAMINE is used as a building block in the preparation of hexahydropyrazinotriazinedione compounds as CYP3A4 inhibitors useful as reverse turn mimetics and in the treatment of cancer. 1,5-disubstituted benzotriazole derivative used as a building block in the preparation of hexahydropyrazinotriazinedione compounds as CYP3A4 inhibitors useful as reverse turn mimetics and in the treatment of cancer.