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| CAS No.: | 122321-04-4 |
|---|---|
| Name: | 2-N-Methyl-2-pyridylaminoethanol |
| Molecular Structure: | |
|
|
|
| Formula: | C8H12N2O |
| Molecular Weight: | 152.196 |
| Synonyms: | 2-(Methyl-2-pyridylamino)ethanol;2-[Methyl(2-pyridinyl)amino]ethanol;2-[N-Methyl-N-(2-pyridyl)amino]ethanol; |
| EINECS: | 602-493-3 |
| Density: | 1.13 g/cm3 |
| Boiling Point: | 281.2 °C at 760 mmHg |
| Flash Point: | 123.9 °C |
| Solubility: | Soluble in water. |
| Appearance: | clear light yellow to light brown viscous liquid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 36/37/38-22 |
| Safety: | 37/39-26 |
| PSA: | 36.36000 |
| LogP: | 0.51010 |
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Specification
The IUPAC name of Ethanol,2-(methyl-2-pyridinylamino)- is 2-[methyl(pyridin-1-ium-2-yl)amino]ethanol. With the CAS registry number 122321-04-4, it is also named as 2-(N-Methyl-2-pyridylamino)ethanol. It is clear light yellow to light brown viscous liquid which is used as intermediate of drug Rosiglitazone. Additioanlly, this chemical should be sealed in the container and stored in the cool and dry place.
The other characteristics of Ethanol,2-(methyl-2-pyridinylamino)- can be summarized as: (1)ACD/LogP: 0.65; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 25.36 Å2; (7)Index of Refraction: 1.58; (8)Molar Refractivity: 44.82 cm3; (9)Molar Volume: 134.6 cm3; (10)Polarizability: 17.77×10-24 cm3; (11)Surface Tension: 51 dyne/cm; (12)Flash Point: 123.9 °C; (13)Enthalpy of Vaporization: 54.92 kJ/mol; (14)Boiling Point: 281.2 °C at 760 mmHg; (15)Vapour Pressure: 0.00172 mmHg at 25°C; (16)Rotatable Bond Count: 3; (17)Exact Mass: 153.102788; (18)MonoIsotopic Mass: 153.102788; (19)Topological Polar Surface Area: 37.6; (20)Heavy Atom Count: 11; (21)Formal Charge: 1; (22)Complexity: 108.
When you are using this chemical, please be cautious about it as the following:
It is not only harmful if swallowed, but also irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
1. SMILES:OCCN(c1ncccc1)C
2. InChI:InChI=1/C8H12N2O/c1-10(6-7-11)8-4-2-3-5-9-8/h2-5,11H,6-7H2,1H3
3. InChIKey:MWGKOPUDDQZERY-UHFFFAOYAQ