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| CAS No.: | 88535-88-0 |
|---|---|
| Name: | 1-(4-(ethylamino)piperidin-1-yl)ethanone |
| Molecular Structure: | |
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| Formula: | C9H18N2O |
| Molecular Weight: | 170.254 |
| Synonyms: | 4-Piperidinamine,1-acetyl-N-ethyl- (9CI); |
| Density: | 0.99g/cm3 |
| Boiling Point: | 295.6 °C at 760 mmHg |
| Flash Point: | 132.5 °C |
| PSA: | 32.34000 |
| LogP: | 0.93560 |
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- Total:17 Page 1 of 1 1
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Specification
The 1-[4-(Ethylamino)-1-piperidinyl]ethanone, with CAS registry number of 88535-88-0, has the systematic name of 1-acetyl-N-ethylpiperidin-4-amine. And it is also named ethanone, 1-[4-(ethylamino)-1-piperidinyl]-.
Physical properties about this chemical are: (1)ACD/LogP: 0.10; (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: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 32.34 Å2; (11)Index of Refraction: 1.488; (12)Molar Refractivity: 49.29 cm3; (13)Molar Volume: 170.9 cm3; (14)Polarizability: 19.54×10-24cm3; (15)Surface Tension: 35.9 dyne/cm; (16)Enthalpy of Vaporization: 53.53 kJ/mol; (17)Vapour Pressure: 0.00152 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C)N1CCC(NCC)CC1
(2)InChI: InChI=1/C9H18N2O/c1-3-10-9-4-6-11(7-5-9)8(2)12/h9-10H,3-7H2,1-2H3
(3)InChIKey: BULWAFPAQBXUSO-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C9H18N2O/c1-3-10-9-4-6-11(7-5-9)8(2)12/h9-10H,3-7H2,1-2H3
(5)Std. InChIKey: BULWAFPAQBXUSO-UHFFFAOYSA-N