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| CAS No.: | 1147423-04-8 |
|---|---|
| Name: | 1-(4-Piperidinyl)-3-azetidinol |
| Molecular Structure: | |
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| Formula: | C8H16N2O |
| Molecular Weight: | 156.23 |
| Synonyms: | 3-Azetidinol, 1-(4-piperidinyl)-; |
| Density: | 1.156 g/cm3 |
| Boiling Point: | 261.967 °C at 760 mmHg |
| Flash Point: | 112.234 °C |
| PSA: | 35.50000 |
| LogP: | -0.31840 |
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Specification
The systematic name of 1-(4-Piperidinyl)-3-azetidinol is 1-(4-piperidyl)azetidin-3-ol. With the CAS registry number 1147423-04-8, it is also named as 3-Azetidinol, 1-(4-piperidinyl)-. The product's molecular formula is C8H16N2O and its molecular weight is 156.23.
The other characteristics of 1-(4-Piperidinyl)-3-azetidinol can be summarized as: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)H bond acceptors: 3; (6)H bond donors: 2; (7)Freely Rotating Bonds: 2; (8)Polar Surface Area: 35.5 Å2; (9)Index of Refraction: 1.556; (10)Molar Refractivity: 43.442 cm3; (11)Molar Volume: 135.165 cm3; (12)Polarizability: 17.222×10-24cm3; (13)Surface Tension: 49.695 dyne/cm; (14)Density: 1.156 g/cm3; (15)Flash Point: 112.234 °C; (16)Enthalpy of Vaporization: 58.038 kJ/mol; (17)Boiling Point: 261.967 °C at 760 mmHg; (18)Vapour Pressure: 0.002 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES:C1CNCCC1N2CC(C2)O
(2)InChI:InChI=1/C8H16N2O/c11-8-5-10(6-8)7-1-3-9-4-2-7/h7-9,11H,1-6H2
(3)InChIKey:MHCWBHMMWDDZFI-UHFFFAOYAO
(4)Std. InChI:InChI=1S/C8H16N2O/c11-8-5-10(6-8)7-1-3-9-4-2-7/h7-9,11H,1-6H2
(5)Std. InChIKey:MHCWBHMMWDDZFI-UHFFFAOYSA-N