Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-Methyl-4-hydroxymethylpyridine |
EINECS | N/A |
CAS No. | 105250-16-6 | Density | 1.092 g/cm3 |
PSA | 33.12000 | LogP | 0.88230 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H9NO | Boiling Point | 239.36 °C at 760 mmHg |
Molecular Weight | 123.155 | Flash Point | 98.562 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36 | Risk Codes | 20/21/22-36/37/38 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
4-Pyridinemethanol,2-methyl-(9CI);(2-Methylpyridin-4-yl)methanol; |
Article Data | 6 |
The 2-Methyl-4-hydroxymethylpyridine is an organic compound with the formula C7H9NO. The IUPAC name of this chemical is (2-methylpyridin-4-yl)methanol. With the CAS registry number 105250-16-6, it is also named as 4-Pyridinemethanol, 2-methyl-. The product category is Pyridine. In addition, the molecular weight is 123.15.
The other characteristics of 2-Methyl-4-hydroxymethylpyridine can be summarized as: (1)ACD/LogP: 0.33; (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): 7; (6)ACD/KOC (pH 7.4): 23; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.545; (11)Molar Refractivity: 35.62 cm3; (12)Molar Volume: 112.749 cm3; (13)Polarizability: 14.121×10-24 cm3; (14)Surface Tension: 45.363 dyne/cm; (15)Enthalpy of Vaporization: 50.328 kJ/mol; (16)Vapour Pressure: 0.022 mmHg at 25°C; (17)Rotatable Bond Count: 1; (18)Exact Mass: 123.068414; (19)MonoIsotopic Mass: 123.068414; (20)Topological Polar Surface Area: 33.1; (21)Heavy Atom Count: 9; (22)Complexity: 85.
When you are using this chemical, please be cautious about it as the following:
It is not only harmful by inhalation, in contact with skin and 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 protective clothing.
People can use the following data to convert to the molecule structure.
1. SMILES:OCc1ccnc(c1)C
2. InChI:InChI=1/C7H9NO/c1-6-4-7(5-9)2-3-8-6/h2-4,9H,5H2,1H3
3. InChIKey:WCHFSXVRRCEWJL-UHFFFAOYAX
4. Std. InChI:InChI=1S/C7H9NO/c1-6-4-7(5-9)2-3-8-6/h2-4,9H,5H2,1H3
5. Std. InChIKey:WCHFSXVRRCEWJL-UHFFFAOYSA-N