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CAS No.: | 51581-40-9 |
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Name: | 3-PYRIDYL DIETHYLCARBAMATE |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C10H14N2O2 |
Molecular Weight: | 194.233 |
Synonyms: | Pyridin-3-yl diethylcarbamate;3-Pyridyl diethylcarbamate;Pyridin-3-yl N,N-diethylcarbamate; |
Density: | 1.096 g/cm3 |
Boiling Point: | 290.6 °C at 760 mmHg |
Flash Point: | 129.6 °C |
PSA: | 42.43000 |
LogP: | 1.92220 |
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The Carbamic acid,N,N-diethyl-,3-pyridinyl ester, with the CAS registry number of 51581-40-9, is also known as 3-Pyridyl diethylcarbamate. It belongs to the product category of Pharmacetical. The molecular formula of this chemical is C10H14N2O2 and its molecular weight is 194.23. What's more, its IUPAC name is Pyridin-3-yl N,N-diethylcarbamate.
Physical properties about Carbamic acid,N,N-diethyl-,3-pyridinyl ester are: (1)ACD/LogP: 1.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.5; (4)ACD/LogD (pH 7.4): 1.5; (5)ACD/BCF (pH 5.5): 8.07; (6)ACD/BCF (pH 7.4): 8.12; (7)ACD/KOC (pH 5.5): 154.96; (8)ACD/KOC (pH 7.4): 155.86; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 42.43 Å2; (13)Index of Refraction: 1.513; (14)Molar Refractivity: 53.3 cm3; (15)Molar Volume: 177 cm3; (16)Polarizability: 21.13×10-24 cm3; (17)Surface Tension: 40.9 dyne/cm; (18)Density: 1.096 g/cm3; (19)Flash Point: 129.6 °C; (20)Enthalpy of Vaporization: 53 kJ/mol; (21)Boiling Point: 290.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00204 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Oc1cccnc1)N(CC)CC
(2) InChI: InChI=1/C10H14N2O2/c1-3-12(4-2)10(13)14-9-6-5-7-11-8-9/h5-8H,3-4H2,1-2H3
(3) InChIKey: CDZWVGRGLGHQIQ-UHFFFAOYAX