Methyl 2-Amino-4,5-dimethoxybenzoate - CAS 26759-46-6

Catalog:	BB019357
Product Name:	Methyl 2-Amino-4,5-dimethoxybenzoate
CAS:	26759-46-6
Synonyms:	2-amino-4,5-dimethoxybenzoic acid methyl ester; methyl 2-amino-4,5-dimethoxybenzoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 2-amino-4,5-dimethoxybenzoate
Description:	Methyl 2-Amino-4,5-dimethoxybenzoate (CAS# 26759-46-6) is a useful research chemical.
Molecular Weight:	211.21
Molecular Formula:	C10H13NO4
Canonical SMILES:	COC1=C(C=C(C(=C1)C(=O)OC)N)OC
InChI:	InChI=1S/C10H13NO4/c1-13-8-4-6(10(12)15-3)7(11)5-9(8)14-2/h4-5H,11H2,1-3H3
InChI Key:	QQFHCCQSCQBKBG-UHFFFAOYSA-N
Boiling Point:	343.1 °C at 760 mmHg
Density:	1.189 g/cm³
MDL:	MFCD00014904
LogP:	1.65380

Publication Number	Title	Priority Date
CN-113004187-A	Compound with function of inhibiting activity of organic anion transporter 1, preparation method and application	20210316
WO-2021211784-A2	Method of treating coronavirus infections	20200415
WO-2021155194-A1	Therapeutic peptides	20200129
WO-2021113062-A1	PDIA4 INHIBITORS AND USE THEREOF FOR INHIBITING ÃŸ-CELL PATHOGENESIS AND TREATING DIABETES	20191202
WO-2021097256-A1	Cxcr4 antagonist peptides	20191114

PMID	Publication Date	Title	Journal
18841885	20081030	Dynamical and structural changes of an anesthetic analogue in chemical and biological nanocavities	The journal of physical chemistry. B
16853289	20050929	Effect of nanocavity confinement on the relaxation of anesthetic analogues: relevance to encapsulated drug photochemistry	The journal of physical chemistry. B

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride

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

Complexity:	222
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	211.08445790
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	211.08445790
Rotatable Bond Count:	4
Topological Polar Surface Area:	70.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6