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| CAS No.: | 59042-90-9 |
|---|---|
| Name: | (S)-(-)-2-(1-HYDROXYETHYL)PYRIDINE |
| Article Data: | 54 |
| Molecular Structure: | |
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| Formula: | C7H9NO |
| Molecular Weight: | 123.155 |
| Synonyms: | 2-Pyridinemethanol,a-methyl-, (S)-;(S)-(-)-2-(1-Hydroxyethyl)pyridine;(S)-1-(2-Pyridyl)ethanol;(S)-Alpha-Methyl-2-pyridinemethanol;(S)-a-Methyl-2-pyridinemethanol;(aS)-a-Methyl-2-pyridinemethanol; |
| Density: | 1.083 g/cm3 |
| Melting Point: | 29°C(lit.) |
| Boiling Point: | 210.624 °C at 760 mmHg |
| Flash Point: | 81.183 °C |
| Hazard Symbols: |
 Xn
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| Risk Codes: | 22-36/37/38 |
| Safety: | 26 |
| PSA: | 33.12000 |
| LogP: | 1.13490 |
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Specification
This chemical is called (1S)-1-(Pyridin-2-yl)ethanol, and its systematic name is (1S)-1-pyridin-2-ylethanol. With the molecular formula of C7H9NO, its molecular weight is 123.15. The CAS registry number of this chemical is 59042-90-9. Additionally, its product categories are Alcohols, Hydroxy Esters and Derivatives; Chiral Compounds; Chiral. It should be stored at the temperature of 2-8 °C.
Other characteristics of the (1S)-1-(Pyridin-2-yl)ethanol can be summarised as followings: (1)ACD/LogP: 0.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 16; (8)ACD/KOC (pH 7.4): 21; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 33.12 Å2; (13)Index of Refraction: 1.535; (14)Molar Refractivity: 35.431 cm3; (15)Molar Volume: 113.729 cm3; (16)Polarizability: 14.046×10-24cm3; (17)Surface Tension: 44.302 dyne/cm; (18)Density: 1.083 g/cm3; (19)Flash Point: 81.183 °C; (20)Enthalpy of Vaporization: 47.243 kJ/mol; (21)Boiling Point: 210.624 °C at 760 mmHg; (22)Vapour Pressure: 0.113 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is harmful if swallowed. It is irritating to eyes, respiratory system and skin. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: C[C@H](O)c1ccccn1
2.InChI: InChI=1/C7H9NO/c1-6(9)7-4-2-3-5-8-7/h2-6,9H,1H3/t6-/m0/s1
3.InChIKey: PPHIIIRFJKDTLG-LURJTMIEBF