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| CAS No.: | 18595-12-5 |
|---|---|
| Name: | 5-AMINO-2-METHYL-BENZOIC ACID METHYL ESTER |
| Article Data: | 24 |
| Molecular Structure: | |
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| Formula: | C9H11NO2 |
| Molecular Weight: | 165.192 |
| Synonyms: | o-Toluic acid,5-amino-, methyl ester (6CI,8CI);5-Amino-2-methylbenzoic acid methyl ester;Methyl 2-methyl-5-aminobenzoate;Methyl 3-amino-6-methylbenzoate;Methyl5-amino-2-methylbenzoate; |
| Density: | 1.132 g/cm3 |
| Melting Point: | 39-40℃ |
| Boiling Point: | 285.437 °C at 760 mmHg |
| Flash Point: | 143.665 °C |
| PSA: | 52.32000 |
| LogP: | 1.94500 |
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Specification
The Benzoic acid,5-amino-2-methyl-, methyl ester, with the CAS registry number 18595-12-5, is also known as Methyl 2-methyl-5-aminobenzoate. It belongs to the product category of Aromatic Esters. This chemical's molecular formula is C9H11NO2 and molecular weight is 165.18914. Its systematic name is called methyl 5-amino-2-methylbenzoate.
Physical properties of Benzoic acid,5-amino-2-methyl-, methyl ester: (1)ACD/LogP: 1.24; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 8; (5)ACD/BCF (pH 7.4): 8; (6)ACD/KOC (pH 5.5): 147; (7)ACD/KOC (pH 7.4): 151; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.559; (12)Molar Refractivity: 47.087 cm3; (13)Molar Volume: 145.882 cm3; (14)Surface Tension: 43.945 dyne/cm; (15)Density: 1.132 g/cm3; (16)Flash Point: 143.665 °C; (17)Enthalpy of Vaporization: 52.448 kJ/mol; (18)Boiling Point: 285.437 °C at 760 mmHg; (19)Vapour Pressure: 0.003 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc(N)cc1C(=O)OC
(2)InChI: InChI=1/C9H11NO2/c1-6-3-4-7(10)5-8(6)9(11)12-2/h3-5H,10H2,1-2H3
(3)InChIKey: JNPZKGOLYSCSEL-UHFFFAOYAX