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| CAS No.: | 10159-79-2 |
|---|---|
| Name: | OCTAHYDRO-2H-QUINOLIZIN-1-YLMETHANOL |
| Molecular Structure: | |
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|
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| Formula: | C10H19NO |
| Molecular Weight: | 169.267 |
| Synonyms: | (Octahydro-quinolizin-1-yl)-methanol; |
| Density: | 1.04 g/cm3 |
| Melting Point: | 68-70 °C |
| Boiling Point: | 245 °C at 760 mmHg |
| Flash Point: | 99.1 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 23/24/25 |
| Safety: | 23-36/37/39 |
| PSA: | 23.47000 |
| LogP: | 1.18110 |
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Specification
The 2H-Quinolizine-1-methanol,octahydro-, with the CAS registry number of 10159-79-2, is also known as (Octahydro-quinolizin-1-yl)-methanol. Its molecular formula is C10H19NO and molecular weight is 169.26. What's more, its IUPAC name is 2,3,4,6,7,8,9,9a-Octahydro-1H-quinolizin-1-ylmethanol.
Physical properties about the 2H-Quinolizine-1-methanol,octahydro- are: (1)ACD/LogP: 1.29; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 12.47 Å2; (7)Index of Refraction: 1.525; (8)Molar Refractivity: 49.63 cm3; (9)Molar Volume: 161.8 cm3; (10)Surface Tension: 41.5 dyne/cm; (11)Density: 1.04 g/cm3; (12)Flash Point: 99.1 °C; (13)Enthalpy of Vaporization: 56.02 kJ/mol; (14)Boiling Point: 245 °C at 760 mmHg; (15)Vapour Pressure: 0.00489 mmHg at 25 °C.
Uses: it is used to produce other chemicals. For example, it is used to produce 2-Hydroxy-propionic acid octahydro-quinolizin-1-ylmethyl ester. This reaction needs reagent Na. Meanwhile, it needs solvent Chlorobenzene. The reaction temperature is 120 - 130 °C. The yield is about 93 %.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, during using it, wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1) SMILES: OCC1C2N(CCC1)CCCC2
(2) InChI: InChI=1/C10H19NO/c12-8-9-4-3-7-11-6-2-1-5-10(9)11/h9-10,12H,1-8H2
(3) InChIKey: HDVAWXXJVMJBAR-UHFFFAOYAR