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CAS No.: | 111390-22-8 |
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Name: | 3-(ETHYLAMINO)PYRROLIDINE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C6H14N2 |
Molecular Weight: | 114.191 |
Synonyms: | 3-Ethylaminopyrrolidine; |
Density: | 0.912 g/cm3 |
Boiling Point: | 167.665 °C at 760 mmHg |
Flash Point: | 53.578 °C |
Risk Codes: | 10-34 |
Safety: | 26-36/37/39 |
PSA: | 24.06000 |
LogP: | 0.67750 |
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The 3-Ethylaminopyrrolidine, with the CAS registry number 111390-22-8, is also known as 3-(Ethylamino)pyrrolidine. It belongs to the product categories of 3-Aminopyrrolidines; 3-Aminopyrrolidines (Racemic). This chemical's molecular formula is C6H14N2 and molecular weight is 114.19. What's more, both its IUPAC name and systematic name are the same which is called N-Ethylpyrrolidin-3-amine.
Physical properties about 3-Ethylaminopyrrolidine are: (1)ACD/LogP: 0.39; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 24.06 Å2; (11)Index of Refraction: 1.472; (12)Molar Refractivity: 35.058 cm3; (13)Molar Volume: 125.211 cm3; (14)Surface Tension: 30.88 dyne/cm; (15)Density: 0.912 g/cm3; (16)Flash Point: 53.578 °C; (17)Enthalpy of Vaporization: 40.412 kJ/mol; (18)Boiling Point: 167.665 °C at 760 mmHg; (19)Vapour Pressure: 1.681 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical is flammable and may cause burns. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. 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: CCNC1CCNC1
(2) InChI: InChI=1/C6H14N2/c1-2-8-6-3-4-7-5-6/h6-8H,2-5H2,1H3
(3) InChIKey: OPCPWFHLFKAUEA-UHFFFAOYAJ