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| CAS No.: | 18595-16-9 |
|---|---|
| Name: | Methyl 2-amino-5-methylbenzoate |
| Article Data: | 27 |
| Molecular Structure: | |
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| Formula: | C9H11NO2 |
| Molecular Weight: | 165.192 |
| Synonyms: | m-Toluicacid, 6-amino-, methyl ester (6CI,8CI);2-Amino-5-methylbenzoic acid methylester;Methyl 2-amino-5-methylbenzoate;Methyl 5-methylanthranilate; |
| Density: | 1.132 g/cm3 |
| Melting Point: | 54-56 °C |
| Boiling Point: | 271.4 °C at 760 mmHg |
| Flash Point: | 132.1 °C |
| Appearance: | Yellow solid |
| PSA: | 52.32000 |
| LogP: | 1.94500 |
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Specification
The Methyl 2-amino-5-methylbenzoate, with the CAS registry number 18595-16-9, is also known as 2-Amino-5-methylbenzoic acid methylester. This chemical's molecular formula is C9H11NO2 and molecular weight is 165.19. What's more, its systematic name is Methyl 2-amino-5-methylbenzoate.
Physical properties of Methyl 2-amino-5-methylbenzoate are: (1)ACD/LogP: 2.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.5; (4)ACD/LogD (pH 7.4): 2.5; (5)ACD/BCF (pH 5.5): 46.6; (6)ACD/BCF (pH 7.4): 46.67; (7)ACD/KOC (pH 5.5): 544.12; (8)ACD/KOC (pH 7.4): 544.88; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.558; (14)Molar Refractivity: 47.08 cm3; (15)Molar Volume: 145.8 cm3; (16)Polarizability: 18.66×10-24 cm3; (17)Surface Tension: 43.9 dyne/cm; (18)Density: 1.132 g/cm3; (19)Flash Point: 132.1 °C; (20)Enthalpy of Vaporization: 50.96 kJ/mol; (21)Boiling Point: 271.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00646 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1cc(ccc1N)C
(2)InChI: InChI=1/C9H11NO2/c1-6-3-4-8(10)7(5-6)9(11)12-2/h3-5H,10H2,1-2H3
(3)InChIKey: MDHYFUPTSWXVIA-UHFFFAOYSA-N