2-Amino-4-methylbenzoic Acid - CAS 2305-36-4

Catalog:	BB017882
Product Name:	2-Amino-4-methylbenzoic Acid
CAS:	2305-36-4
Synonyms:	2-amino-4-methylbenzoic acid; 2-amino-4-methylbenzoic acid

Technical Data

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Computed Properties

IUPAC Name:	2-amino-4-methylbenzoic acid
Description:	2-Amino-4-methylbenzoic Acid performs a herbicidal function in Agriculture. A plant growth-regulator.
Molecular Weight:	151.16
Molecular Formula:	C8H9NO2
Canonical SMILES:	CC1=CC(=C(C=C1)C(=O)O)N
InChI:	InChI=1S/C8H9NO2/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4H,9H2,1H3,(H,10,11)
InChI Key:	RPGKFFKUTVJVPY-UHFFFAOYSA-N
Boiling Point:	329.8 °C at 760 mmHg
Density:	1.254 g/cm³
MDL:	MFCD00047853
LogP:	1.85660

Publication Number	Title	Priority Date
CN-111978190-A	Temperature-sensitive fluorescent sensing material and application thereof	20200824
CN-111995537-A	Pressure-sensitive fluorescent sensing material with aggregation-induced emission performance	20200824
WO-2021194908-A1	Modified dipeptide cleavases, uses thereof and related kits	20200324
WO-2021130638-A1	Diacylglycerol kinase modulating compounds	20191224
WO-2021114161-A1	Curable composition	20191212

PMID	Publication Date	Title	Journal
22390171	20120615	Mutasynthesis of a potent anticancer sibiromycin analogue	ACS chemical biology

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Related Functional Groups

Carbonyl Compounds

[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone 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:	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:	2.7