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| CAS No.: | 533-15-3 |
|---|---|
| Name: | N-METHYLPIPERIDINE-2-ETHANOL |
| Molecular Structure: | |
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| Formula: | C8H17NO |
| Molecular Weight: | 143.229 |
| Synonyms: | 2-(1-Methylpiperidin-2-yl)ethanol;2-(2-Hydroxyethyl)-1-methylpiperidine;NSC 75616; |
| EINECS: | 208-554-7 |
| Density: | 0.938 g/cm3 |
| Boiling Point: | 209.7 °C at 760 mmHg |
| Flash Point: | 79.9 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22-37/38-41 |
| Safety: | 26-39 |
| PSA: | 23.47000 |
| LogP: | 0.79100 |
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Specification
The 2-Piperidineethanol,1-methyl-, with the CAS registry number 533-15-3, is also known as 2-(1-Methyl-2-piperidinyl)-1-ethanol. Its EINECS registry number is 208-554-7. This chemical's molecular formula is C8H17NO and molecular weight is 143.23. What's more, both its IUPAC name and systematic name are the same which is called 2-(1-Methylpiperidin-2-yl)ethanol.
Physical properties about 2-Piperidineethanol,1-methyl- are: (1)ACD/LogP: 0.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.41; (4)ACD/LogD (pH 7.4): -1.46; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.465; (14)Molar Refractivity: 42.19 cm3; (15)Molar Volume: 152.5 cm3; (16)Surface Tension: 31.7 dyne/cm; (17)Density: 0.938 g/cm3; (18)Flash Point: 79.9 °C; (19)Enthalpy of Vaporization: 51.87 kJ/mol; (20)Boiling Point: 209.7 °C at 760 mmHg; (21)Vapour Pressure: 0.0459 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OCCC1N(C)CCCC1
(2) InChI: InChI=1/C8H17NO/c1-9-6-3-2-4-8(9)5-7-10/h8,10H,2-7H2,1H3
(3) InChIKey: OVMRRCXDBKEQIU-UHFFFAOYAT