Methyl 4-amino-3-methylbenzoate - CAS 18595-14-7
Catalog: |
BB014258 |
Product Name: |
Methyl 4-amino-3-methylbenzoate |
CAS: |
18595-14-7 |
Synonyms: |
4-amino-3-methylbenzoic acid methyl ester; methyl 4-amino-3-methylbenzoate |
IUPAC Name: | methyl 4-amino-3-methylbenzoate |
Description: | Methyl 4-amino-3-methylbenzoate (CAS# 18595-14-7) is used in the synthesis of neuroprotective hydrazides used in the treatment of Alzheimer's. It is also used in the research and development of diphenylamine-based retinoids. |
Molecular Weight: | 165.19 |
Molecular Formula: | C9H11NO2 |
Canonical SMILES: | CC1=C(C=CC(=C1)C(=O)OC)N |
InChI: | InChI=1S/C9H11NO2/c1-6-5-7(9(11)12-2)3-4-8(6)10/h3-5H,10H2,1-2H3 |
InChI Key: | ZHIPSMIKSRYZFV-UHFFFAOYSA-N |
Boiling Point: | 314.8 °C at 760 mmHg |
Melting Point: | 115-117 °C |
Purity: | 98 % |
Density: | 1.132 g/cm3 |
Appearance: | White to light yellow crystal powder |
MDL: | MFCD00102230 |
LogP: | 1.94500 |
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-112251770-A | Novel electrochemical preparation method of antihypertensive drug telmisartan intermediate | 20201014 |
WO-2021191359-A1 | Monoacylglycerol lipase modulators | 20200326 |
CN-113121393-A | Aromatic amide compound and application thereof in medicines | 20191231 |
WO-2021136326-A1 | Aryl amide compound and application thereof in medicine | 20191231 |
CN-111041516-A | New preparation method of telmisartan intermediate of antihypertensive drug | 20191219 |
PMID | Publication Date | Title | Journal |
21202370 | 20080423 | Methyl 4-amino-3-methyl-benzoate | Acta crystallographica. Section E, Structure reports online |
21202132 | 20080329 | Methyl 4-(butyrylamino)-5-methyl-2-nitro-benzoate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.078978594 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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