CAS No.728945-64-0,Anthranilic acid, 4-tert-butyl- (5CI) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	728945-64-0
Name:	Anthranilic acid, 4-tert-butyl- (5CI)
Article Data:	8

Formula:	C₁₁H₁₅NO₂
Molecular Weight:	193.246
Synonyms:	Anthranilicacid, 4-tert-butyl- (5CI);2-Amino-4-tert-butylbenzoic acid;
Density:	1.131 g/cm³
Melting Point:	167-168 °C(Solv: water (7732-18-5); ethanol (64-17-5))
Boiling Point:	328.259 °C at 760 mmHg
Flash Point:	152.326 °C
PSA:	63.32000
LogP:	2.84570

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Specification

This chemical is called Benzoic acid,2-amino-4-(1,1-dimethylethyl)-, and its systematic name is 2-amino-4-tert-butyl-benzoic acid. With the molecular formula of C₁₁H₁₅NO_2.The CAS registry number of this chemical is 728945-64-0. Additionally, its product categories are AMINOACID; Aromatic.

Other characteristics of the Benzoic acid,2-amino-4-(1,1-dimethylethyl)- can be summarised as followings: (1)ACD/LogP: 3.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.6; (4)ACD/LogD (pH 7.4): 0.899; (5)ACD/BCF (pH 5.5): 34.706; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 251.388; (8)ACD/KOC (pH 7.4): 5.003; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 63.32 Å²; (13)Index of Refraction: 1.567; (14)Molar Refractivity: 55.806 cm³; (15)Molar Volume: 170.931 cm³; (16)Polarizability: 22.123×10^-24cm³; (17)Surface Tension: 45.228 dyne/cm; (18)Density: 1.131 g/cm³; (19)Flash Point: 152.326 °C; (20)Enthalpy of Vaporization: 60.236 kJ/mol; (21)Boiling Point: 328.259 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: CC(C)(C)c1ccc(c(c1)N)C(=O)O
2.InChI: InChI=1/C11H15NO2/c1-11(2,3)7-4-5-8(10(13)14)9(12)6-7/h4-6H,12H2,1-3H3,(H,13,14)
3.InChIKey: XLIGRZYQIUYNDR-UHFFFAOYAM