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| CAS No.: | 18358-63-9 |
|---|---|
| Name: | METHYL 4-METHYLAMINOBENZOATE |
| Molecular Structure: | |
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|
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| Formula: | C9H11NO2 |
| Molecular Weight: | 165.192 |
| Synonyms: | Methyl 4-(methylamino)benzoate;4-Methylaminobenzoic acid methyl ester; |
| Density: | 1.125 g/cm3 |
| Melting Point: | 94-96 °C |
| Boiling Point: | 277.5 °C at 760 mmHg |
| Flash Point: | 121.6 °C |
| Solubility: | It is slightly soluble in water. (1.2 g/L) (25°C insoluble in hexane. |
| Hazard Symbols: |
 F, C
|
| Risk Codes: | R11; R34 |
| PSA: | 38.33000 |
| LogP: | 1.58790 |
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Specification
The Benzoic acid, 4-(methylamino)-, methyl ester, with the CAS registry number 18358-63-9, is also known as 4-Methylaminobenzoic acid methyl ester. It belongs to the product category of Aromatic Esters. This chemical's molecular formula is C9H11NO2 and molecular weight is 165.19. What's more, its systematic name is methyl 4-(methylamino)benzoate. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from light.
Physical properties of Benzoic acid, 4-(methylamino)-, 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): 26.15; (6)ACD/BCF (pH 7.4): 26.16; (7)ACD/KOC (pH 5.5): 359.88; (8)ACD/KOC (pH 7.4): 360.08; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.562; (14)Molar Refractivity: 47.63 cm3; (15)Molar Volume: 146.7 cm3; (16)Polarizability: 18.88×10-24cm3; (17)Surface Tension: 40.8 dyne/cm; (18)Density: 1.125 g/cm3; (19)Flash Point: 121.6 °C; (20)Enthalpy of Vaporization: 51.61 kJ/mol; (21)Boiling Point: 277.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00451 mmHg at 25°C.
Preparation of Benzoic acid, 4-(methylamino)-, methyl ester: this chemical can be prepared by methanol and 4-methylamino-benzoic acid by heating. This reaction will need reagent p-toluenesulfonic acid monohydrate with the reaction time of 72 hours. The yield is about 100%.
-, methyl ester.jpg)
Uses of Benzoic acid, 4-(methylamino)-, methyl ester: it can be used to produce methyl 4-(N-butyryl-N-meethylamino)benzoate by heating. It will need reagent triethylamine and solvent diethyl ether with the reaction time of 4 hours. The yield is about 50%.
-, methyl ester.jpg)
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CNC1=CC=C(C=C1)C(=O)OC
(2)InChI: InChI=1S/C9H11NO2/c1-10-8-5-3-7(4-6-8)9(11)12-2/h3-6,10H,1-2H3
(3)InChIKey: LLAMGYUWYUMHCH-UHFFFAOYSA-N