2-METHYLAMINOBENZAMIDE

The Benzamide,2-(methylamino)-, with the CAS registry number 7505-81-9, is also known as Benzamide, 2-(methylamino)- (9CI). It belongs to the product category of Amide. This chemical's molecular formula is C₈H₁₀N₂O and molecular weight is 150.18. What's more, its IUPAC name is 2-(methylamino)benzamide. Its classification code is: Drug / Therapeutic Agent.

Physical properties of Benzamide,2-(methylamino)- are: (1)ACD/LogP: 0.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.96; (4)ACD/LogD (pH 7.4): 0.96; (5)ACD/BCF (pH 5.5): 3.14; (6)ACD/BCF (pH 7.4): 3.17; (7)ACD/KOC (pH 5.5): 78.67; (8)ACD/KOC (pH 7.4): 79.54; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 23.55 Å²; (13)Index of Refraction: 1.619; (14)Molar Refractivity: 44.79 cm³; (15)Molar Volume: 127.5 cm³; (16)Polarizability: 17.75×10^-24cm³; (17)Surface Tension: 50.7 dyne/cm; (18)Density: 1.177 g/cm³; (19)Flash Point: 148.1 °C; (20)Enthalpy of Vaporization: 56.3 kJ/mol; (21)Boiling Point: 321.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000302 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-methyl-1H-benzo[d][1,3]oxazine-2,4-dione when they are heated. This reaction will need reagent concentrated ammonium hydroxyde and solvent ethanol. The yield is about 54%.

Uses of Benzamide,2-(methylamino)-: it can be used to produce 2-benzo[1,3]dioxol-5-yl-1-methyl-2,3-dihydro-1H-quinazolin-4-one at the ambient temperature. It will need reagent glacial acetic acid with the reaction time of 3 hours. The yield is about 70%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1NC)N
(2)Std. InChI: InChI=1S/C8H10N2O/c1-10-7-5-3-2-4-6(7)8(9)11/h2-5,10H,1H3,(H2,9,11)
(3)Std. InChIKey: KTDNXQLRLSPQOK-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD	intraperitoneal	> 316mg/kg (316mg/kg)	SENSE ORGANS AND SPECIAL SENSES: MIOSIS (PUPILLARY CONSTRICTION): EYE SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS	Journal of Pharmaceutical Sciences. Vol. 60, Pg. 703, 1971. Link to PubMed