CAS No.16524-22-4,N-(3-METHYLPHENYL)ANTHRANILIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	16524-22-4
Name:	N-(3-METHYLPHENYL)ANTHRANILIC ACID
Article Data:	15

Formula:	C₁₄H₁₃NO₂
Molecular Weight:	227.263
Synonyms:	Anthranilicacid, N-m-tolyl-;N-(3-Tolyl)anthranilic acid;N-(m-Methylphenyl)anthranilic acid;
Density:	1.233 g/cm³
Melting Point:	142-144 °C
Boiling Point:	391.6 °C at 760 mmHg
Flash Point:	190.6 °C
Hazard Symbols:	Xn,N
Risk Codes:	22-36/37/38-50/53
Safety:	26-60-61
PSA:	49.33000
LogP:	3.50980

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Specification

The Benzoic acid, 2-[(3-methylphenyl)amino]-, with the CAS registry number 16524-22-4, is also known as 2-m-Tolylamino-benzoic acid. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C₁₄H₁₃NO₂ and molecular weight is 227.26. What's more, its IUPAC name is 2-(3-Methylanilino)benzoic acid.

Physical properties about Benzoic acid, 2-[(3-methylphenyl)amino]- are: (1)ACD/LogP: 4.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.36; (4)ACD/LogD (pH 7.4): 1.91; (5)ACD/BCF (pH 5.5): 92.06; (6)ACD/BCF (pH 7.4): 3.26; (7)ACD/KOC (pH 5.5): 330.5; (8)ACD/KOC (pH 7.4): 11.71; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.652; (14)Molar Refractivity: 67.38 cm³; (15)Molar Volume: 184.2 cm³; (16)Polarizability: 26.71×10^-24 cm³; (17)Surface Tension: 54.3 dyne/cm; (18)Density: 1.233 g/cm³; (19)Flash Point: 190.6 °C; (20)Enthalpy of Vaporization: 67.63 kJ/mol; (21)Boiling Point: 391.6 °C at 760 mmHg; (22)Vapour Pressure: 7.81E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c2ccccc2Nc1cccc(c1)C
(2) InChI: InChI=1/C14H13NO2/c1-10-5-4-6-11(9-10)15-13-8-3-2-7-12(13)14(16)17/h2-9,15H,1H3,(H,16,17)
(3) InChIKey: JODCQKTVDXZQEP-UHFFFAOYAH

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	94mg/kg (94mg/kg)		Yakugaku Zasshi. Journal of Pharmacy. Vol. 89, Pg. 1392, 1969.