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CAS No.: | 22041-19-6 |
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Name: | ETHYL PYRROLIDINOACETATE |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C8H15NO2 |
Molecular Weight: | 157.21 |
Synonyms: | Ethyl 1-pyrrolidinylacetate; |
Density: | 1.021 g/cm3 |
Boiling Point: | 203.7 °C at 760 mmHg |
Flash Point: | 80 °C |
Appearance: | clear light yellow liquid |
Safety: | 24/25 |
PSA: | 29.54000 |
LogP: | 0.58320 |
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The 1-Pyrrolidineaceticacid, ethyl ester, with the CAS registry number of 22041-19-6, is also known as Ethyl 1-pyrrolidinylacetate. It belongs to the product categories of Acetics Acid and Esters. This chemical's molecular formula is C8H15NO2 and molecular weight is 157.21. What's more, its IUPAC name is Ethyl 2-pyrrolidin-1-ylacetate. Besides, this chemical's classification code is Drug / Therapeutic Agent. In addition, this chemical must be stored in airtight containers and placed in a dry, cool place. When you are using this chemical, please be cautious to avoid contact with skin and eyes. What's more, it can be used to produce 4-Hydroxy-2-oxopyrrolidine-N-acetamide.
Physical properties about 1-Pyrrolidineaceticacid, ethyl ester are: (1)ACD/LogP: 1.39; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 29.54 Å2; (7)Index of Refraction: 1.463; (8)Molar Refractivity: 42.38 cm3; (9)Molar Volume: 153.8 cm3; (10)Polarizability: 16.8×10-24 cm3; (11)Surface Tension: 34.4 dyne/cm; (12)Density: 1.021 g/cm3; (13)Flash Point: 80 °C; (14)Enthalpy of Vaporization: 43.99 kJ/mol; (15)Boiling Point: 203.7 °C at 760 mmHg; (16)Vapour Pressure: 0.275 mmHg at 25 °C.
You can still convert the following data into molecular structure:
(1) SMILES: O=C(OCC)CN1CCCC1
(2) InChI: InChI=1/C8H15NO2/c1-2-11-8(10)7-9-5-3-4-6-9/h2-7H2,1H3
(3) InChIKey: IIIBKVMTKMLDFJ-UHFFFAOYAE
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | > 50mg/kg (50mg/kg) | British Journal of Pharmacology. Vol. 34, Pg. 345, 1968. |