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Benzamide,2-(methylamino)-

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Name

Benzamide,2-(methylamino)-

EINECS N/A
CAS No. 7505-81-9 Density 1.177 g/cm3
PSA 55.12000 LogP 1.60050
Solubility N/A Melting Point 161 °C
Formula C8H10N2O Boiling Point 321.2 °C at 760 mmHg
Molecular Weight 150.18 Flash Point 148.1 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 7505-81-9 (2-METHYLAMINOBENZAMIDE) Hazard Symbols Xi
Synonyms

2-(Methylamino)benzamide;2-Methylaminobenzamide;2-Methylamino-benzenecarboxamide;Benzamide, 2-(methylamino)- (9CI);Benzamide, o-(methylamino)-;

Article Data 22

Benzamide,2-(methylamino)- Specification

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%.

Benzamide,2-(methylamino)- can be prepared by 1-methyl-1H-benzo[d][1,3]oxazine-2,4-dione when they are heated

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%.

Benzamide,2-(methylamino)- 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

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

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