4-Methoxy-2-methylaniline - CAS 102-50-1
Catalog: |
BB000865 |
Product Name: |
4-Methoxy-2-methylaniline |
CAS: |
102-50-1 |
Synonyms: |
4-methoxy-2-methylaniline |
IUPAC Name: | 4-methoxy-2-methylaniline |
Description: | 4-Methoxy-2-methylaniline (CAS# 102-50-1) is a reagent used in organic synthesis of more complex compounds that have a more specific function. For example, enzyme inhibitors. |
Molecular Weight: | 137.18 |
Molecular Formula: | C8H11NO |
Canonical SMILES: | CC1=C(C=CC(=C1)OC)N |
InChI: | InChI=1S/C8H11NO/c1-6-5-7(10-2)3-4-8(6)9/h3-5H,9H2,1-2H3 |
InChI Key: | CDGNLUSBENXDGG-UHFFFAOYSA-N |
Boiling Point: | 248-249 °C |
Melting Point: | 55 to 57 °F |
Flash Point: | greater than 230 °F |
Density: | 1.065 g/cm3 |
Solubility: | less than 1 mg/mL at 70.7 °F |
Appearance: | Crystals from ligroin |
Storage: | Keep in dark place, Sealed in dry, Room Temperature |
Decomposition: | When heated to decomposition it emits toxic fumes of /nitrogen oxides |
MDL: | MFCD00007735 |
LogP: | 2.16700 |
Vapor Pressure: | 0.02 [mmHg] |
GHS Hazard Statement: | H315 (89.36%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P201, P202, P261, P264, P271, P280, P281, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21754706 | 20110601 | 2-(4-Meth-oxy-2-methyl-anilino)-1,2-diphenyl-ethanone | Acta crystallographica. Section E, Structure reports online |
15962942 | 20050601 | Prediction of genotoxicity of chemical compounds by statistical learning methods | Chemical research in toxicology |
Complexity: | 105 |
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: | 1 |
Topological Polar Surface Area: | 35.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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