4-Amino-3-methoxybenzoic Acid - CAS 2486-69-3
Catalog: |
BB018647 |
Product Name: |
4-Amino-3-methoxybenzoic Acid |
CAS: |
2486-69-3 |
Synonyms: |
4-amino-3-methoxybenzoic acid; 4-amino-3-methoxybenzoic acid |
IUPAC Name: | 4-amino-3-methoxybenzoic acid |
Description: | 4-Amino-3-methoxybenzoic Acid (CAS# 2486-69-3) is an intermediate used to prepare (aminophenyl)benzothiazoles with antitumor activities. It is also used to synthesize (phenyl)(cyanopyrazinyl)urea derivatives as checkpoint kinase-1 (Chk1) inhibitors. |
Molecular Weight: | 167.16 |
Molecular Formula: | C8H9NO3 |
Canonical SMILES: | COC1=C(C=CC(=C1)C(=O)O)N |
InChI: | InChI=1S/C8H9NO3/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4H,9H2,1H3,(H,10,11) |
InChI Key: | JNFGLYJROFAOQP-UHFFFAOYSA-N |
Boiling Point: | 357.9 °C at 760 mmHg |
Density: | 1.303 g/cm3 |
MDL: | MFCD00016539 |
LogP: | 1.55680 |
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-113024617-A | N-aryl sulfonamide-N-beta-D-glucopyranose diamide compounds and application thereof | 20210316 |
WO-2021211784-A2 | Method of treating coronavirus infections | 20200415 |
WO-2021194144-A1 | Novel pyrimidine derivative, and composition for preventing or treating neurodegenerative diseases and cancer, comprising same | 20200323 |
WO-2021155194-A1 | Therapeutic peptides | 20200129 |
WO-2021136244-A1 | Tricyclic compound, and preparation method therefor and medical use thereof | 20191230 |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.058243149 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 72.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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