5-Phenyl-o-anisidine - CAS 39811-17-1
Catalog: |
BB024144 |
Product Name: |
5-Phenyl-o-anisidine |
CAS: |
39811-17-1 |
Synonyms: |
2-methoxy-5-phenylaniline |
IUPAC Name: | 2-methoxy-5-phenylaniline |
Description: | 5-Phenyl-o-anisidine (CAS# 39811-17-1) is a useful research chemical. |
Molecular Weight: | 199.25 |
Molecular Formula: | C13H13NO |
Canonical SMILES: | COC1=C(C=C(C=C1)C2=CC=CC=C2)N |
InChI: | InChI=1S/C13H13NO/c1-15-13-8-7-11(9-12(13)14)10-5-3-2-4-6-10/h2-9H,14H2,1H3 |
InChI Key: | DTYBRSLINXBXMP-UHFFFAOYSA-N |
Boiling Point: | 337.8 °C at 760 mmHg |
Density: | 1.1 g/cm3 |
MDL: | MFCD00007790 |
LogP: | 3.52560 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111662207-A | Method for synthesizing 4-methoxy-3-biphenylhydrazine hydrochloride by adopting micro-channel | 20200608 |
CN-109988084-A | A kind of Bifenazate synthetic method | 20190423 |
CN-109988084-B | Bifenazate synthesis method | 20190423 |
US-2020148634-A1 | Acly inhibitors and uses thereof | 20181109 |
WO-2020097408-A1 | Acly inhibitors and uses thereof | 20181109 |
PMID | Publication Date | Title | Journal |
15962942 | 20050601 | Prediction of genotoxicity of chemical compounds by statistical learning methods | Chemical research in toxicology |
9046338 | 19970214 | Synthesis and biological evaluation of nonclassical 2,4-diamino-5-methylpyrido[2,3-d]pyrimidines with novel side chain substituents as potential inhibitors of dihydrofolate reductases | Journal of medicinal chemistry |
Complexity: | 189 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.099714038 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.099714038 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 35.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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