2-Amino-N,3-dimethylbenzamide supplier

Name
Methyl 2-amino-3-methylbenzoate
EINECS
CAS No. 870997-57-2
Article Data19
CAS DataBase
Density 1.107 g/cm³
Solubility
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
Appearance Pale yellow to white solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Amino-N,3-dimethyl-Benzamide;Methyl 2-amino-3-methylbenzoate;
PSA 55.12000
LogP 1.90890

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

Product Name

Methyl 2-amino-3-methylbenzoate

2-Amino-N,3-dimethylbenzamide Specification

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