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1622-57-7 | 1H-Benzimidazol-2-amine, 1-methyl-
CAS No: 1622-57-7 Catalog No: AG001SW1 MDL No:MFCD00142855
Product Description
Catalog Number:
AG001SW1
Chemical Name:
1H-Benzimidazol-2-amine, 1-methyl-
CAS Number:
1622-57-7
Molecular Formula:
C8H9N3
Molecular Weight:
147.1772
MDL Number:
MFCD00142855
IUPAC Name:
1-methylbenzimidazol-2-amine
InChI:
InChI=1S/C8H9N3/c1-11-7-5-3-2-4-6(7)10-8(11)9/h2-5H,1H3,(H2,9,10)
InChI Key:
XDFZKQJLNGNJAN-UHFFFAOYSA-N
SMILES:
Cn1c(N)nc2c1cccc2
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.08g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
147.181g/mol
Monoisotopic Mass:
147.08g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Removal of nonspecific binding proteins from cell and tissue extracts using 2-aminobenzimidazole-tethered affinity resin. | Die Pharmazie 20110901 |
| Discovery, characterization, and structure-activity relationships of an inhibitor of inward rectifier potassium (Kir) channels with preference for Kir2.3, Kir3.x, and Kir7.1. | Frontiers in pharmacology 20110101 |
| Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. | The Biochemical journal 20101001 |
| Bis(acetyl-acetonato-κO,O')(2-amino-1-methyl-1H-benzimidazole-κN)oxido-vanadium(IV). | Acta crystallographica. Section E, Structure reports online 20090701 |
| Synthesis, IR, UV/vis-, (1)H NMR and DFT study of chelatophore functionalized 1,3-benzoxazinone spiropyrans. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20081201 |
| Unusual solvent effect on a SN2 reaction. A quantum-mechanical and kinetic study of the Menshutkin reaction between 2-amino-1-methylbenzimidazole and iodomethane in the gas phase and in acetonitrile. | The journal of physical chemistry. B 20060202 |
| Prediction of genotoxicity of chemical compounds by statistical learning methods. | Chemical research in toxicology 20050601 |
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