1-Methyl-2-aminoterephthalate - CAS 60728-41-8
Catalog: |
BB030784 |
Product Name: |
1-Methyl-2-aminoterephthalate |
CAS: |
60728-41-8 |
Synonyms: |
3-amino-4-methoxycarbonylbenzoic acid |
IUPAC Name: | 3-amino-4-methoxycarbonylbenzoic acid |
Description: | 1-Methyl-2-aminoterephthalate (CAS# 60728-41-8) is a useful research chemical. |
Molecular Weight: | 195.17 |
Molecular Formula: | C9H9NO4 |
Canonical SMILES: | COC(=O)C1=C(C=C(C=C1)C(=O)O)N |
InChI: | InChI=1S/C9H9NO4/c1-14-9(13)6-3-2-5(8(11)12)4-7(6)10/h2-4H,10H2,1H3,(H,11,12) |
InChI Key: | QKOKLMFCKLEFDV-UHFFFAOYSA-N |
Boiling Point: | 394.9 °C at 760 mmHg |
MDL: | MFCD00189374 |
LogP: | 1.33480 |
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-212540320-U | Acidimeter is used in amino-p-dimethyl ester production | 20200701 |
CN-111116494-A | Amide compounds containing quinazolinedione structure, preparation method and application thereof | 20191231 |
LU-101206-B1 | PDEdelta Inhibitors | 20190506 |
WO-2020225285-A1 | Pdedelta inhibitors | 20190506 |
JP-WO2018070303-A1 | Composition for forming a resist underlayer film comprising an amide group-containing polyester | 20161014 |
PMID | Publication Date | Title | Journal |
20849113 | 20101108 | Solid-phase synthesis of highly diverse purine-hydroxyquinolinone bisheterocycles | Journal of combinatorial chemistry |
Complexity: | 241 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.05315777 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.05315777 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 89.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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