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CAS No.: | 20984-81-0 |
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Name: | 3-(DIETHYLAMINO)PYRROLIDINE |
Molecular Structure: | |
Formula: | C8H18N2 |
Molecular Weight: | 142.244 |
Synonyms: | Pyrrolidine,3-(diethylamino)- (8CI);3-Diethylaminopyrrolidine;Diethyl(pyrrolidin-3-yl)amine;N,N-Diethylpyrrolidin-3-amine; |
Density: | 0.905 g/cm3 |
Boiling Point: | 199.298 °C at 760 mmHg |
Flash Point: | 69.569 °C |
PSA: | 15.27000 |
LogP: | 1.01890 |
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The 3-Pyrrolidinamine,N,N-diethyl-, with the CAS registry number 20984-81-0, is also known as 3-(Diethylamino)pyrrolidine. It belongs to the product categories of 3-Aminopyrrolidines; 3-Aminopyrrolidines (Racemic). This chemical's molecular formula is C8H18N2 and molecular weight is 142.2419. What's more, both its IUPAC name and systematic name are the same which is called N,N-Diethylpyrrolidin-3-amine.
Physical properties about 3-Pyrrolidinamine,N,N-diethyl- are: (1)ACD/LogP: 1.04; (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: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 15.27 Å2; (11)Index of Refraction: 1.479; (12)Molar Refractivity: 44.549 cm3; (13)Molar Volume: 157.219 cm3; (14)Surface Tension: 31.809 dyne/cm; (15)Density: 0.905 g/cm3; (16)Flash Point: 69.569 °C; (17)Enthalpy of Vaporization: 43.55 kJ/mol; (18)Boiling Point: 199.298 °C at 760 mmHg; (19)Vapour Pressure: 0.344 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CCN(CC)C1CCNC1
(2) InChI: InChI=1/C8H18N2/c1-3-10(4-2)8-5-6-9-7-8/h8-9H,3-7H2,1-2H3
(3) InChIKey: XHOADYKJSBCVBJ-UHFFFAOYAV