4-[(1-Imidazolyl)methyl]aniline - CAS 56643-85-7
Catalog: |
BB029445 |
Product Name: |
4-[(1-Imidazolyl)methyl]aniline |
CAS: |
56643-85-7 |
Synonyms: |
4-(1-imidazolylmethyl)aniline; 4-(imidazol-1-ylmethyl)aniline |
IUPAC Name: | 4-(imidazol-1-ylmethyl)aniline |
Description: | 4-[(1-Imidazolyl)methyl]aniline (CAS# 56643-85-7) is a useful research chemical. |
Molecular Weight: | 173.21 |
Molecular Formula: | C10H11N3 |
Canonical SMILES: | C1=CC(=CC=C1CN2C=CN=C2)N |
InChI: | InChI=1S/C10H11N3/c11-10-3-1-9(2-4-10)7-13-6-5-12-8-13/h1-6,8H,7,11H2 |
InChI Key: | DGHAOTHIDTUSJY-UHFFFAOYSA-N |
Boiling Point: | 387.6 °C at 760 mmHg |
Density: | 1.16 g/cm3 |
LogP: | 2.09480 |
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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: | 152 |
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 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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