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870997-57-2

Basic Information
CAS No.: 870997-57-2
Name: Methyl 2-amino-3-methylbenzoate
Article Data: 19
Molecular Structure:
Molecular Structure of 870997-57-2 (Methyl 2-amino-3-methylbenzoate)
Formula: C9H12N2O
Molecular Weight: 164.207
Synonyms: 2-Amino-N,3-dimethyl-Benzamide;Methyl 2-amino-3-methylbenzoate;
Density: 1.107 g/cm3
Melting Point: 115-117 °C
Boiling Point: 309.754 °C at 760 mmHg
Flash Point: 141.135 °C
Appearance: Pale yellow to white solid
PSA: 55.12000
LogP: 1.90890
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  • 2-Amino-N,3-dimethylbenzamide

  • Casno:

    870997-57-2

    2-Amino-N,3-dimethylbenzamide

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Wecoochem Co., Ltd, the branch company of Wecoochem (HK) Holding Group Co., Ltd, is one of the leading fine chemical and biological chemical manufacturers in China. And Wecoochem

  • wecoochem Co., Ltd

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    Business Type:Trading Company

    Tel:86-311-67265101

    Address:203 Lianmeng Road, Qiaoxi District

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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