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2-Amino-N,3-dimethylbenzamide

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Name

2-Amino-N,3-dimethylbenzamide

EINECS N/A
CAS No. 870997-57-2 Density 1.107 g/cm3
PSA 55.12000 LogP 1.90890
Solubility N/A Melting Point 115-117 °C
Formula C9H12N2O Boiling Point 309.754 °C at 760 mmHg
Molecular Weight 164.207 Flash Point 141.135 °C
Transport Information N/A Appearance Pale yellow to white solid
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 870997-57-2 (Methyl 2-amino-3-methylbenzoate) Hazard Symbols N/A
Synonyms

2-Amino-N,3-dimethyl-Benzamide;Methyl 2-amino-3-methylbenzoate;

Article Data 19

2-Amino-N,3-dimethylbenzamide Specification

The systematic name of 2-Amino-N,3-dimethylbenzamide is 2-Amino-N,3-dimethylbenzamide. With the CAS registry number 870997-57-2, it is also named as Methyl 2-amino-3-methylbenzoate. The product's category is Pharmaceutical Intermediates. Besides, it is pale yellow to white solid, which should be stored in closed place. In addition, its molecular formula is C9H12N2O and molecular weight is 164.20.

The other characteristics of 2-Amino-N,3-dimethylbenzamide can be summarized as: (1)ACD/LogP: 0.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 92; (8)ACD/KOC (pH 7.4): 92; (9)H bond acceptors: 3; (10)H bond donors: 3; (11)Freely Rotating Bonds: 2; (12)Index of Refraction: 1.574; (13)Molar Refractivity: 48.937 cm3; (14)Molar Volume: 148.335 cm3; (15)Surface Tension: 44.861 dyne/cm; (16)Density: 1.107 g/cm3; (17)Flash Point: 141.135 °C; (18)Enthalpy of Vaporization: 55.053 kJ/mol; (19)Boiling Point: 309.754 °C at 760 mmHg; (20)Vapour Pressure: 0.001 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:Cc1cccc(C(=O)NC)c1N
(2)InChI:InChI=1/C9H12N2O/c1-6-4-3-5-7(8(6)10)9(12)11-2/h3-5H,10H2,1-2H3,(H,11,12)
(3)InChIKey:FBOWFVWOCBTBPH-UHFFFAOYAK
(4)Std. InChI:InChI=1S/C9H12N2O/c1-6-4-3-5-7(8(6)10)9(12)11-2/h3-5H,10H2,1-2H3,(H,11,12)
(5)Std. InChIKey:FBOWFVWOCBTBPH-UHFFFAOYSA-N

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