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CAS No.: | 14315-16-3 |
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Name: | 3-AMINOBENZANILIDE |
Article Data: | 23 |
Molecular Structure: | |
Formula: | C13H12N2O |
Molecular Weight: | 212.251 |
Synonyms: | 3-Aminobenzanilide;3-Aminobenzoic acid anilide;m-Aminobenzanilide;3-Amino-N-phenylbenzamide;Benzanilide,3-amino- (6CI,8CI); |
EINECS: | 238-257-8 |
Density: | 1.244 g/cm3 |
Melting Point: | 124~125℃ |
Boiling Point: | 323.9 °C at 760 mmHg |
Flash Point: | 149.7 °C |
Risk Codes: | 52/53 |
PSA: | 55.12000 |
LogP: | 3.17530 |
The Benzamide,3-amino-N-phenyl-, with the CAS registry number 14315-16-3, is also known as 3-Aminobenzoic acid anilide. It belongs to the product category of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. Its EINECS registry number is 238-257-8. This chemical's molecular formula is C13H12N2O and molecular weight is 212.25. Its systematic name is called 3-amino-N-phenylbenzamide. This chemical's classification code is Drug / Therapeutic Agent.
Physical properties of Benzamide,3-amino-N-phenyl-: (1)ACD/LogP: 1.65; (2)ACD/LogD (pH 5.5): 1.64; (3)ACD/LogD (pH 7.4): 1.65; (4)ACD/BCF (pH 5.5): 10.39; (5)ACD/BCF (pH 7.4): 10.49; (6)ACD/KOC (pH 5.5): 185.36; (7)ACD/KOC (pH 7.4): 187.22; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.688; (12)Molar Refractivity: 65.06 cm3; (13)Molar Volume: 170.5 cm3; (14)Surface Tension: 58.9 dyne/cm; (15)Density: 1.244 g/cm3; (16)Flash Point: 149.7 °C; (17)Enthalpy of Vaporization: 56.59 kJ/mol; (18)Boiling Point: 323.9 °C at 760 mmHg; (19)Vapour Pressure: 0.000254 mmHg at 25°C.
Preparation of Benzamide,3-amino-N-phenyl-: this chemical can be prepared by 3-nitro-benzoic acid anilide. This reaction will need reagents tin, hydrochloric acid and alcohol.
Uses of Benzamide,3-amino-N-phenyl-: it can be used to produce N-phenyl-3-phenylamino-benzamide by heating. This reaction is a kind of Arylation. It will need reagents copper(II) acetate, triethylamine and solvent CH2Cl2. The yield is about 94%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ccccc1)c2cccc(N)c2
(2)InChI: InChI=1/C13H12N2O/c14-11-6-4-5-10(9-11)13(16)15-12-7-2-1-3-8-12/h1-9H,14H2,(H,15,16)
(3)InChIKey: KPSPULPPMWHXGE-UHFFFAOYAU
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
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mouse | LD50 | intraperitoneal | 750mg/kg (750mg/kg) | Journal of Medicinal Chemistry. Vol. 14, Pg. 963, 1971. |