3-(1-Imidazolylmethyl)aniline - CAS 120107-85-9
Catalog: |
BB004715 |
Product Name: |
3-(1-Imidazolylmethyl)aniline |
CAS: |
120107-85-9 |
Synonyms: |
3-(1-imidazolylmethyl)aniline; 3-(imidazol-1-ylmethyl)aniline |
IUPAC Name: | 3-(imidazol-1-ylmethyl)aniline |
Description: | 3-(1H-Imidazol-1-ylmethyl)aniline functions as a selective aldosterone synthase inhibitors. Research on antibacterial and antifungal agents (benzenamine derivatives). |
Molecular Weight: | 173.21 |
Molecular Formula: | C10H11N3 |
Canonical SMILES: | C1=CC(=CC(=C1)N)CN2C=CN=C2 |
InChI: | InChI=1S/C10H11N3/c11-10-3-1-2-9(6-10)7-13-5-4-12-8-13/h1-6,8H,7,11H2 |
InChI Key: | HOZXQBSHRUITCX-UHFFFAOYSA-N |
Boiling Point: | 392.8 °C at 760 mmHg |
Density: | 1.16 g/cm3 |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 2.09480 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-111825605-A | Aryl ketone amide compound and preparation method and application thereof | 20190419 |
TW-201925413-A | Chemical mechanical polishing composition | 20171122 |
WO-2019101555-A1 | Chemical mechanical polishing composition | 20171122 |
CN-111356747-A | Chemical mechanical polishing composition | 20171122 |
EP-3714012-A1 | Chemical mechanical polishing composition | 20171122 |
PMID | Publication Date | Title | Journal |
20121113 | 20100225 | Synthesis, biological evaluation, and molecular modeling of 1-benzyl-1H-imidazoles as selective inhibitors of aldosterone synthase (CYP11B2) | Journal of medicinal chemistry |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.095297364 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.095297364 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 43.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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