4-Amino-3-methylbenzoic Acid - CAS 2486-70-6
Catalog: |
BB018648 |
Product Name: |
4-Amino-3-methylbenzoic Acid |
CAS: |
2486-70-6 |
Synonyms: |
4-amino-3-methylbenzoic acid; 4-amino-3-methylbenzoic acid |
IUPAC Name: | 4-amino-3-methylbenzoic acid |
Description: | 4-Amino-3-methylbenzoic Acid (CAS# 2486-70-6) is used in preparation of Amide-substituted Benzo[d]imidazole compounds as selective inhibitors of indoleamine-2,3-dioxygenases. |
Molecular Weight: | 151.16 |
Molecular Formula: | C8H9NO2 |
Canonical SMILES: | CC1=C(C=CC(=C1)C(=O)O)N |
InChI: | InChI=1S/C8H9NO2/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,9H2,1H3,(H,10,11) |
InChI Key: | NHFKECPTBZZFBC-UHFFFAOYSA-N |
Boiling Point: | 339.5 °C at 760 mmHg |
Density: | 1.254 g/cm3 |
MDL: | MFCD00007736 |
LogP: | 1.85660 |
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 |
CN-112500307-A | Ester group-containing aromatic diamine monomer and preparation method thereof | 20201202 |
CN-111689903-A | Synthesis method of 2-n-propyl-4-methyl-6- (1-methylbenzimidazole-2-yl) benzimidazole | 20200717 |
WO-2021209055-A1 | Imidazolinone derivative and use thereof in medicine | 20200417 |
WO-2021211784-A2 | Method of treating coronavirus infections | 20200415 |
PMID | Publication Date | Title | Journal |
22327048 | 20120415 | Production of the monoclonal antibody against Sudan 2 for immunoassay of Sudan dyes in egg | Analytical biochemistry |
21522404 | 20110219 | 4-Amino-3-methyl-benzoic acid-1,2-bis-(4-pyrid-yl)ethane (1/1) | Acta crystallographica. Section E, Structure reports online |
21202370 | 20080423 | Methyl 4-amino-3-methyl-benzoate | Acta crystallographica. Section E, Structure reports online |
21202278 | 20080402 | Ethyl 4-amino-3-methyl-benzoate | Acta crystallographica. Section E, Structure reports online |
15962942 | 20050601 | Prediction of genotoxicity of chemical compounds by statistical learning methods | Chemical research in toxicology |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 151.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 151.063328530 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS