4-Methoxybenzylamine - CAS 2393-23-9
Catalog: |
BB018252 |
Product Name: |
4-Methoxybenzylamine |
CAS: |
2393-23-9 |
Synonyms: |
(4-methoxyphenyl)methanamine |
IUPAC Name: | (4-methoxyphenyl)methanamine |
Description: | 4-Methoxybenzylamine (CAS# 2393-23-9) is used in the synthesis of COX2 inhibitors based on a pyrimidine scaffold. Also used in the preparation of SIRT1 inhibitors. Used in anti-cancer treatments. |
Molecular Weight: | 137.18 |
Molecular Formula: | C8H11NO |
Canonical SMILES: | COC1=CC=C(C=C1)CN |
InChI: | InChI=1S/C8H11NO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6,9H2,1H3 |
InChI Key: | IDPURXSQCKYKIJ-UHFFFAOYSA-N |
Boiling Point: | 236-237 °C |
Melting Point: | -10 °C |
Purity: | 95 % |
Density: | 1.05 g/cm3 |
Appearance: | Clear colorless to slightly yellow liquid |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00008122 |
LogP: | 1.85420 |
Publication Number | Title | Priority Date |
CN-113461674-A | Amide compound for promoting plant root growth and preparation method and application thereof | 20210809 |
CN-113461595-A | Method for synthesizing carbazole derivative | 20210616 |
CN-113289458-A | Application of amine compound in removing organic sulfide | 20210609 |
CN-113264895-A | Synthetic method for preparing benzoxazole compound from catechol compound and amine compound | 20210606 |
CN-113264896-A | Synthetic method for preparing benzoxazole compound by oxidizing catechol compound with oxygen | 20210606 |
PMID | Publication Date | Title | Journal |
22321216 | 20120301 | Towards the preparation of radiolabeled 1-aryl-3-benzyl ureas: Radiosynthesis of [(11)C-carbonyl] AR-A014418 by [(11)C]CO(2) fixation | Bioorganic & medicinal chemistry letters |
22197390 | 20120115 | The discovery of potent antagonists of NPBWR1 (GPR7) | Bioorganic & medicinal chemistry letters |
22111927 | 20111222 | Structure-guided evolution of potent and selective CHK1 inhibitors through scaffold morphing | Journal of medicinal chemistry |
21522388 | 20110216 | (4-Meth-oxy-phen-yl)methanaminium chloride | Acta crystallographica. Section E, Structure reports online |
21617772 | 20110101 | The gramine route to pyrido[4,3-b]indol-3-ones - identification of a new cytotoxic lead | Scientia pharmaceutica |
Complexity: | 87.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 137.084063974 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 137.084063974 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 35.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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