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| CAS No.: | 5121-34-6 |
|---|---|
| Name: | Methyl 2-aMino-3-Methoxybenzoate |
| Article Data: | 24 |
| Molecular Structure: | |
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| Formula: | C9H11NO3 |
| Molecular Weight: | 181.191 |
| Synonyms: | Methyl 2-Amino-3-Methoxybenzoate |
| EINECS: | 200-589-5 |
| Density: | 1.179 g/cm3 |
| Melting Point: | 46.0 to 50.0 °C |
| Boiling Point: | 286.1 °C at 760 mmHg |
| Flash Point: | 133.4 °C |
| PSA: | 61.55000 |
| LogP: | 1.64520 |
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- Total:25 Page 1 of 1 1
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Specification
The CAS registry number of Benzoic acid, 2-amino-3-methoxy-, methyl ester is 5121-34-6. This chemical's molecular formula is C9H11NO3 and molecular weight is 181.1885. What's more, both its IUPAC name and systematic name are the same which is called Methyl 2-amino-3-methoxybenzoate.
Physical properties about Benzoic acid, 2-amino-3-methoxy-, methyl ester are: (1)ACD/LogP: 2.17; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.17; (4)ACD/LogD (pH 7.4): 2.17; (5)ACD/BCF (pH 5.5): 26.06; (6)ACD/BCF (pH 7.4): 26.08; (7)ACD/KOC (pH 5.5): 359.06; (8)ACD/KOC (pH 7.4): 359.22; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 48.94 cm3; (15)Molar Volume: 153.6 cm3; (16)Polarizability: 19.4×10-24 cm3; (17)Surface Tension: 43.5 dyne/cm; (18)Density: 1.179 g/cm3; (19)Flash Point: 133.4 °C; (20)Enthalpy of Vaporization: 52.52 kJ/mol; (21)Boiling Point: 286.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00269 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)c1cccc(OC)c1N
(2) InChI: InChI=1/C9H11NO3/c1-12-7-5-3-4-6(8(7)10)9(11)13-2/h3-5H,10H2,1-2H3
(3) InChIKey: YJEZEMGLLFLMDF-UHFFFAOYAF