3-(3,5-Dimethyl-[1,2,4]triazol-1-yl)-butyric acid

Base Information

• Chemical Name: 3-(3,5-Dimethyl-[1,2,4]triazol-1-yl)-butyric acid
• CAS No.: 801228-16-0
• Molecular Formula: C8H13N3O2
• Molecular Weight: 183.21
• DSSTox Substance ID: DTXSID701230392
• ChEMBL ID: CHEMBL1375999
• Mol file: 801228-16-0.mol

Synonyms:3-(3,5-Dimethyl-[1,2,4]triazol-1-yl)-butyric acid;3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)butanoic acid;801228-16-0;3-(3,5-dimethyl-1,2,4-triazol-1-yl)butanoic acid;MLS000076157;SMR000015259;BAS 09717464;cid_648443;CHEMBL1375999;BDBM37523;DTXSID701230392;HMS2411B13;BHB22816;AKOS000270516;AKOS016040038;NCGC00031954-02;CS-0275750;VU0432699-2;EN300-237820;3-(3,5-dimethyl-1,2,4-triazol-1-yl)butyric acid;3-(dimethyl-1H-1,2,4-triazol-1-yl)butanoic acid;beta,3,5-Trimethyl-1H-1,2,4-triazole-1-propanoic acid;F3083-0331;3-(3,5-Dimethyl-1H-1,2,4-triazol-1-yl)butanoic acid, AldrichCPR

Chemical Property of 3-(3,5-Dimethyl-[1,2,4]triazol-1-yl)-butyric acid

Chemical Property:

• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 183.100776666
• Heavy Atom Count: 13
• Complexity: 198

Purity/Quality:

98%min ^*data from raw suppliers

3-(3,5-Dimethyl-[1,2,4]triazol-1-yl)-butyric acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

Useful:

• Canonical SMILES: CC1=NN(C(=N1)C)C(C)CC(=O)O