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| CAS No.: | 14159-61-6 |
|---|---|
| Name: | 3-ISOBUTYLPYRIDINE |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C9H13N |
| Molecular Weight: | 135.209 |
| Synonyms: | Pyridine,3-isobutyl- (6CI,8CI);3-(2-Methylpropyl)pyridine;3-Isobutylpyridine; |
| EINECS: | 238-003-6 |
| Density: | 0.908 g/cm3 |
| Boiling Point: | 198.6 °C at 760 mmHg |
| Flash Point: | 67.2 °C |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 12.89000 |
| LogP: | 2.28010 |
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- Total:15 Page 1 of 1 1
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Specification
The IUPAC name of this chemical is 3-(2-methylpropyl)pyridine. With the CAS registry number 14159-61-6, it is also named as Pyridine, 3-(2-methylpropyl)-. 3-Isobutylpyridine is chemical reagent which is stable under normal temperature and pressure. And it should not contact with the oxidate. In addition, this material is a little dangerous to the water, so people must not release undiluted or large quantities product to the water. Besides, it should be sealed in the container which must be placed in the cool and dry aera.
The other characteristics of 3-Isobutylpyridine can be summarized as: (1)ACD/LogP: 2.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.27; (4)ACD/LogD (pH 7.4): 2.59; (5)ACD/BCF (pH 5.5): 26.03; (6)ACD/BCF (pH 7.4): 54.58; (7)ACD/KOC (pH 5.5): 289.52; (8)ACD/KOC (pH 7.4): 607.06; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Molar Refractivity: 43.11 cm3; (13)Molar Volume: 148.8 cm3; (14)Polarizability: 17.09×10-24 cm3; (15)Surface Tension: 32.3 dyne/cm; (16)Enthalpy of Vaporization: 41.7 kJ/mol; (17)Vapour Pressure: 0.503 mmHg at 25°C; (18)Rotatable Bond Count: 2; (19)Exact Mass: 135.104799; (20)MonoIsotopic Mass: 135.104799; (21)Topological Polar Surface Area: 12.9; (22)Heavy Atom Count: 10; (23)Complexity: 88.7.
When you are using this chemical, please be cautious about it as the following:
It is 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, gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
1. SMILES: n1cccc(c1)CC(C)C;
2. InChI: InChI=1/C9H13N/c1-8(2)6-9-4-3-5-10-7-9/h3-5,7-8H,6H2,1-2H3.