N-(2,4-Dimethylphenyl)anthranilic Acid - CAS 27210-58-8

Catalog:	BB076375
Product Name:	N-(2,4-Dimethylphenyl)anthranilic Acid
CAS:	27210-58-8
Synonyms:	2-[(2,4-Dimethylphenyl)amino]benzoic acid; N-(2,4-Xylyl)anthranilic acid; 2-[(2,4-Dimethylphenyl)amino]-benzoic acid

Technical Data

IUPAC Name:	2-(2,4-dimethylanilino)benzoic acid
Description:	N-(2,4-Dimethylphenyl)anthranilic Acid is used in the synthesis of acridine-piperazine hybrids for improvement of cognitive dysfunction and mechanisms.
Molecular Weight:	241.29
Molecular Formula:	C15H15NO2
Canonical SMILES:	CC1=CC(=C(C=C1)NC2=CC=CC=C2C(=O)O)C
InChI:	InChI=1S/C15H15NO2/c1-10-7-8-13(11(2)9-10)16-14-6-4-3-5-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)
InChI Key:	VJVKYSGOJRLVPJ-UHFFFAOYSA-N
References:	Sharma,Anuradha. et al.,: Chemical Biology & Drug Design. 5,926-935(2017).

Complexity:	292
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	241.110278721
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	241.110278721
Rotatable Bond Count:	3
Topological Polar Surface Area:	49.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5.1