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3-Isobutylpyridine

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Name

3-Isobutylpyridine

EINECS 238-003-6
CAS No. 14159-61-6 Density 0.908 g/cm3
PSA 12.89000 LogP 2.28010
Solubility N/A Melting Point N/A
Formula C9H13N Boiling Point 198.6 °C at 760 mmHg
Molecular Weight 135.209 Flash Point 67.2 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 14159-61-6 (3-ISOBUTYLPYRIDINE) Hazard Symbols N/A
Synonyms

Pyridine,3-isobutyl- (6CI,8CI);3-(2-Methylpropyl)pyridine;3-Isobutylpyridine;

Article Data 9

3-Isobutylpyridine 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.

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