2-Amino-6-fluoro-1-methylbenzimidazole - CAS 1248916-44-0
Catalog: |
BB006014 |
Product Name: |
2-Amino-6-fluoro-1-methylbenzimidazole |
CAS: |
1248916-44-0 |
Synonyms: |
6-fluoro-1-methyl-2-benzimidazolamine; 6-fluoro-1-methylbenzimidazol-2-amine |
IUPAC Name: | 6-fluoro-1-methylbenzimidazol-2-amine |
Description: | 2-Amino-6-fluoro-1-methylbenzimidazole (CAS# 1248916-44-0) is a useful research chemical. |
Molecular Weight: | 165.17 |
Molecular Formula: | C8H8FN3 |
Canonical SMILES: | CN1C2=C(C=CC(=C2)F)N=C1N |
InChI: | InChI=1S/C8H8FN3/c1-12-7-4-5(9)2-3-6(7)11-8(12)10/h2-4H,1H3,(H2,10,11) |
InChI Key: | NVRHVHDCZDMSQE-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2014140644-A1 | Chemical entities | 20130315 |
Complexity: | 176 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.07022543 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.07022543 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 43.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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Amines and Anilines
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