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CAS No.: | 4424-17-3 |
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Name: | 2'-AMINOBENZANILIDE |
Article Data: | 132 |
Molecular Structure: | |
Formula: | C13H12N2O |
Molecular Weight: | 212.251 |
Synonyms: | Benzanilide,2-amino- (6CI,7CI,8CI);2-(N-Phenylcarbamoyl)aniline;2-Amino-N-phenylbenzamide;2-Aminobenzanilide;Anthranilanilide;N-(2-Aminobenzoyl)aniline;N-Phenyl 2-aminobenzamide;N-Phenylanthranilamide;NSC 50644; |
EINECS: | 224-599-5 |
Density: | 1.244 g/cm3 |
Melting Point: | 133-134 °C |
Boiling Point: | 309.6 °C at 760 mmHg |
Flash Point: | 141 °C |
Safety: | 22-24/25 |
PSA: | 55.12000 |
LogP: | 3.17530 |
The Benzamide,2-amino-N-phenyl-, with the CAS registry number 4424-17-3, is also known as . It belongs to the product category of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. Its EINECS registry number is 224-599-5. This chemical's molecular formula is C13H12N2O and molecular weight is 212.24718. Its IUPAC name is called 2-amino-N-phenylbenzamide. This chemical's classification code is Drug / Therapeutic Agent. When you are using this chemical, please be cautious about it. You should not breathe its dust. What's more, you must avoid contacting it with skin and eyes. The product should be sealed and stored in dry and well-ventilated place.
Physical properties of Benzamide,2-amino-N-phenyl-: (1)ACD/LogP: 2.38; (2)ACD/LogD (pH 5.5): 2.38; (3)ACD/LogD (pH 7.4): 2.38; (4)ACD/BCF (pH 5.5): 37.76; (5)ACD/BCF (pH 7.4): 37.78; (6)ACD/KOC (pH 5.5): 468.21; (7)ACD/KOC (pH 7.4): 468.4; (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: 141 °C; (17)Enthalpy of Vaporization: 55.03 kJ/mol; (18)Boiling Point: 309.6 °C at 760 mmHg; (19)Vapour Pressure: 0.000634 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-nitro-benzoic acid anilide. This reaction will need reagent iron powder and diluted acetic acid. The yield is about 60%.
Uses of Benzamide,2-amino-N-phenyl-: it can be used to produce N-(2-amino-benzyl)-aniline by heating. This reaction will need reagent LiAlH4 and solvent tetrahydrofuran. The yield is about 52%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2N
(2)InChI: InChI=1S/C13H12N2O/c14-12-9-5-4-8-11(12)13(16)15-10-6-2-1-3-7-10/h1-9H,14H2,(H,15,16)
(3)InChIKey: FDPVTENMNDHFNK-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
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mouse | LD50 | intraperitoneal | 1gm/kg (1000mg/kg) | Journal of Medicinal Chemistry. Vol. 14, Pg. 963, 1971. |