Benzoicacid, 4-[(4-aminobenzoyl)amino]- supplier

Name
4-(4-AMINO-BENZOYLAMINO)-BENZOIC ACID
EINECS
CAS No. 36711-56-5
Article Data3
CAS DataBase
Density 1.399 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₂N₂O₃
Boiling Point 424.4 °C at 760 mmHg
Molecular Weight 256.261
Flash Point 210.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzoicacid, p-(p-aminobenzamido)- (4CI);4-(4-Aminobenzamido)benzoic acid;4-Amino-4'-carboxybenzanilide;
PSA 92.42000
LogP 2.87350

Benzoicacid, 4-[(4-aminobenzoyl)amino]- Specification

The Benzoicacid, 4-[(4-aminobenzoyl)amino]-, with the CAS registry number 36711-56-5, is also known as 4-Amino-4'-carboxybenzanilide. This chemical's molecular formula is C₁₄H₁₂N₂O₃ and molecular weight is 256.26. What's more, its systematic name is 4-[(4-Aminobenzoyl)amino]benzoic acid.

Physical properties of Benzoicacid, 4-[(4-aminobenzoyl)amino]- are: (1)ACD/LogP: 1.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.57; (4)ACD/LogD (pH 7.4): -0.94; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 11.14; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 49.85 Å²; (13)Index of Refraction: 1.715; (14)Molar Refractivity: 71.99 cm³; (15)Molar Volume: 183.1 cm³; (16)Polarizability: 28.54×10^-24cm³; (17)Surface Tension: 72.7 dyne/cm; (18)Density: 1.399 g/cm³; (19)Flash Point: 210.5 °C; (20)Enthalpy of Vaporization: 71.57 kJ/mol; (21)Boiling Point: 424.4 °C at 760 mmHg; (22)Vapour Pressure: 5.84E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)O)N
(2)InChI: InChI=1S/C14H12N2O3/c15-11-5-1-9(2-6-11)13(17)16-12-7-3-10(4-8-12)14(18)19/h1-8H,15H2,(H,16,17)(H,18,19)
(3)InChIKey: WQJFKWNHMPAYNT-UHFFFAOYSA-N

Product Name

4-(4-AMINO-BENZOYLAMINO)-BENZOIC ACID

Benzoicacid, 4-[(4-aminobenzoyl)amino]- Specification

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