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| CAS No.: | 473730-88-0 |
|---|---|
| Name: | 3-METHYLPIPERIDIN-3-OL |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C6H13NO |
| Molecular Weight: | 115.175 |
| Synonyms: | 3-Methylpiperidin-3-ol; |
| Density: | 0.977 g/cm3 |
| Boiling Point: | 190.977 °C at 760 mmHg |
| Flash Point: | 85.603 °C |
| PSA: | 32.26000 |
| LogP: | 0.44960 |
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- Total:27 Page 1 of 1 1
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Specification
The 3-Piperidinol,3-methyl-, with the CAS registry number 473730-88-0, is also known as 3-Methylpiperidin-3-ol. This chemical's molecular formula is C6H13NO and molecular weight is115.17. What's more, its systematic name is 3-Methylpiperidin-3-ol.
Physical properties of 3-Piperidinol,3-methyl- are: (1)ACD/LogP: 0.02; (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: 1; (10)Polar Surface Area: 32.26 Å2; (11)Index of Refraction: 1.465; (12)Molar Refractivity: 32.611 cm3; (13)Molar Volume: 117.897 cm3; (14)Polarizability: 12.928×10-24cm3; (15)Surface Tension: 33.421 dyne/cm; (16)Density: 0.977 g/cm3; (17)Flash Point: 85.603 °C; (18)Enthalpy of Vaporization: 49.713 kJ/mol; (19)Boiling Point: 190.977 °C at 760 mmHg; (20)Vapour Pressure: 0.142 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC1(O)CCCNC1
(2)Std. InChI: InChI=1S/C6H13NO/c1-6(8)3-2-4-7-5-6/h7-8H,2-5H2,1H3
(3)Std. InChIKey: LLDKGUNKYFJNPV-UHFFFAOYSA-N