2-Amino-3,5-dimethylbenzoic Acid - CAS 14438-32-5

Catalog:	BB009769
Product Name:	2-Amino-3,5-dimethylbenzoic Acid
CAS:	14438-32-5
Synonyms:	2-amino-3,5-dimethylbenzoic acid; 2-amino-3,5-dimethylbenzoic acid

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Computed Properties

IUPAC Name:	2-amino-3,5-dimethylbenzoic acid
Description:	2-Amino-3,5-dimethylbenzoic Acid (CAS# 14438-32-5) is a useful research chemical.
Molecular Weight:	165.19
Molecular Formula:	C9H11NO2
Canonical SMILES:	CC1=CC(=C(C(=C1)C(=O)O)N)C
InChI:	InChI=1S/C9H11NO2/c1-5-3-6(2)8(10)7(4-5)9(11)12/h3-4H,10H2,1-2H3,(H,11,12)
InChI Key:	GIMYRAQQQBFFFJ-UHFFFAOYSA-N
Boiling Point:	322.2 °C at 760 mmHg
Density:	1.207 g/cm³
MDL:	MFCD00017099
LogP:	2.16500

Publication Number	Title	Priority Date
CN-112778125-A	Aryl phenol compound and synthesis method and application thereof	20210201
WO-2021211784-A2	Method of treating coronavirus infections	20200415
WO-2021155194-A1	Therapeutic peptides	20200129
WO-2021097256-A1	Cxcr4 antagonist peptides	20191114
WO-2021081110-A2	Peptides and use thereof	20191022

PMID	Publication Date	Title	Journal
15962942	20050601	Prediction of genotoxicity of chemical compounds by statistical learning methods	Chemical research in toxicology

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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:	181
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:	2
Isotope Atom Count:	0
Monoisotopic Mass:	165.078978594
Rotatable Bond Count:	1
Topological Polar Surface Area:	63.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2