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3-Amino-N-methylbenzamide

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Name

3-Amino-N-methylbenzamide

EINECS 233-675-7
CAS No. 25900-61-2 Density 1.137 g/cm3
PSA 55.12000 LogP 1.60050
Solubility N/A Melting Point 119 °C
Formula C8H10N2O Boiling Point 346.697 °C at 760 mmHg
Molecular Weight 150.18 Flash Point 163.477 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 25900-61-2 (3-AMINOBENZOYLMETHYLAMIDE) Hazard Symbols IrritantXi
Synonyms

3-(Methylcarbamoyl)aniline;3-(N-Methylaminocarbonyl)aniline;N-Methyl-3-aminobenzamide;m-Amino-N-methylbenzamide;

Article Data 10

3-Amino-N-methylbenzamide Specification

The 3-Amino-N-methylbenzamide with the CAS number 25900-61-2 is also called Benzamide,3-amino-N-methyl-. Its molecular formula is C8H10N2O. This chemical belongs to the following product categories: (1)Amineprimary; (2)Amide; (3)Amines; (4)Phenyls & Phenyl-Het.

The properties of the chemical are: (1)ACD/LogP: -0.11; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 20.47; (6)ACD/KOC (pH 7.4): 20.65; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 23.55 Å2; (11)Index of Refraction: 1.582; (12)Molar Refractivity: 44.11 cm3; (13)Molar Volume: 132 cm3; (14)Polarizability: 17.48×10-24cm3; (15)Surface Tension: 47.2 dyne/cm; (16)Enthalpy of Vaporization: 59.09 kJ/mol; (17)Vapour Pressure: 5.66×10-5 mmHg at 25°C.

Uses: This chemical can react with 2-chloro-N-(3,4-dimethoxy-phenethyl)-acetamide to prepare 3-({[2-(3,4-dimethoxy-phenyl)-ethylcarbamoyl]-methyl}-amino)-N-methyl-benzamide. This reaction needs reagent NaI, CaCO3 and solvent dimethylformamide at temperature of 50 °C. The reaction time is 7.0 hours. The yield is 51%.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cc(N)ccc1)NC
(2)InChI: InChI=1/C8H10N2O/c1-10-8(11)6-3-2-4-7(9)5-6/h2-5H,9H2,1H3,(H,10,11)
(3)InChIKey: PYDQTASEULDNRL-UHFFFAOYAZ

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