Methyl 3-Aminobenzoate - CAS 4518-10-9

Name: Methyl 3-Aminobenzoate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB025781
Product Name:	Methyl 3-Aminobenzoate
CAS:	4518-10-9
Synonyms:	3-aminobenzoic acid methyl ester; methyl 3-aminobenzoate

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	methyl 3-aminobenzoate
Description:	Methyl 3-Aminobenzoate (CAS# 4518-10-9) is an intermediate in the synthesis of Torsemide Carboxylic Acid (T548755) is a metabolite of Torsemide (T548750), a diuretic drug.
Molecular Weight:	151.16
Molecular Formula:	C8H9NO2
Canonical SMILES:	COC(=O)C1=CC(=CC=C1)N
InChI:	InChI=1S/C8H9NO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,9H2,1H3
InChI Key:	VZDNXXPBYLGWOS-UHFFFAOYSA-N
Boiling Point:	281.5 °C at 760 mmHg
Density:	1.166 g/cm³
MDL:	MFCD00017102
LogP:	1.63660

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[87-88-7]C6H2Cl2O4
Chloranilic acid
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[17746-05-3]C11H21ClO
Undecanoyl chloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea

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-113092604-A	Rapid detection method for three common anesthetics in aquatic product	20210318
CN-113004187-A	Compound with function of inhibiting activity of organic anion transporter 1, preparation method and application	20210316
CN-112225361-A	Purified water for cleaning pseudo-ginseng powder and production process thereof	20200924
CN-111808079-A	Indole ASK1 small molecule inhibitor and preparation method and application thereof	20200805
CN-111848599-A	Oxygen-containing five-membered heterocyclic compound, synthesis method, pharmaceutical composition and application	20200428

PMID	Publication Date	Title	Journal
19730690	20090901	A Novel extracytoplasmic function (ECF) sigma factor regulates virulence in Pseudomonas aeruginosa	PLoS pathogens
19503831	20090605	Defining global neuroendocrine gene expression patterns associated with reproductive seasonality in fish	PloS one
19223977	20090101	Maternal transfer and protective role of the alternative complement components in zebrafish Danio rerio	PloS one

Complexity:	147
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:	1
Isotope Atom Count:	0
Monoisotopic Mass:	151.063328530
Rotatable Bond Count:	2
Topological Polar Surface Area:	52.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5