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| CAS No.: | 84199-98-4 |
|---|---|
| Name: | METHYL 3-(3-PYRIDYL)PROPIONATE |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C9H11NO2 |
| Molecular Weight: | 165.192 |
| Synonyms: | Methyl 3-(3-pyridinyl)propanoate;3-Pyridinepropionicacid methyl ester;Methyl3-(3-pyridyl)propanoate;Methyl 3-(3-pyridyl)propionate;Methyl3-pyridinepropanoate;Methyl 3-pyridinepropionate; |
| Density: | 1.086 g/cm3 |
| Boiling Point: | 253.3 °C at 760 mmHg |
| Flash Point: | 107 °C |
| Hazard Symbols: | R36/38:Irritating to eyes and skin.; |
| Risk Codes: | 36/38 |
| Safety: | 26-36 |
| PSA: | 39.19000 |
| LogP: | 1.18720 |
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Specification
The 3-Pyridinepropanoicacid, methyl ester, with the CAS registry number 84199-98-4, is also known as Methyl 3-(3-Pyridyl)propionate. This chemical's molecular formula is C9H11NO2 and molecular weight is 165.19. What's more, its systematic name is Methyl 3-pyridin-3-ylpropanoate. Its classification code is Mutation Data. Additionally, it should be preserved hermetically and put in a cool, dry place.
Physical properties about 3-Pyridinepropanoicacid, methyl ester: (1)ACD/LogP: 0.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.58; (4)ACD/LogD (pH 7.4): 0.76; (5)ACD/BCF (pH 5.5): 1.45; (6)ACD/BCF (pH 7.4): 2.24; (7)ACD/KOC (pH 5.5): 40.2; (8)ACD/KOC (pH 7.4): 61.77; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 39.19 Å2; (13)Index of Refraction: 1.503; (14)Molar Refractivity: 44.93 cm3; (15)Molar Volume: 151.9 cm3; (16)Surface Tension: 40 dyne/cm; (17)Density: 1.086 g/cm3; (18)Flash Point: 107 °C; (19)Enthalpy of Vaporization: 49.07 kJ/mol; (20)Boiling Point: 253.3 °C at 760 mmHg; (21)Vapour Pressure: 0.0184 mmHg at 25 °C.
Uses of 3-Pyridinepropanoicacid, methyl ester: it is used to produce other chemicals. For example, it can react with N-Trimethylsilyl-o-toluidine to get 2-[2-(Pyridin-3-yl)ethyl]indole. The yield is 55%.
![3-Pyridinepropanoicacid, methyl ester can react with N-Trimethylsilyl-o-toluidine to get 2-[2-(Pyridin-3-yl)ethyl]indole](/UserFilesUpload/Uses of 3-Pyridinepropanoicacid, methyl ester.jpg)
When you are dealing with this chemical, you should be very careful. This chemical is irritating to the skin and eyes. Therefore, you should wear suitable protective clothing. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)CCc1cccnc1
(2) InChI: InChI=1/C9H11NO2/c1-12-9(11)5-4-8-3-2-6-10-7-8/h2-3,6-7H,4-5H2,1H3
(3) InChIKey: FQRRQPZYIYAPAV-UHFFFAOYAO