Basic information
- Name:
Pyridine,4-(3-phenylpropyl)-
- Superlist Name:
- 4-(3-Phenylpropyl)pyridine
- CAS No.:
2057-49-0
- Molecular Structure:
- Formula:
- C14H15N
- Molecular Weight:
- 197.28
- Synonyms:
- 1-(4-Pyridyl)-3-phenylpropane;4-Phenylpropylpyridine;
- EINECS:
- 218-159-1
- Density:
- 1.024 g/cm3
- Boiling Point:
- 321.999 °C at 760 mmHg
- Flash Point:
- 131.227 °C
- Appearance:
- colourless to light yellow liquid
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 26-36 Details
- Transport Information:
- UN 2810
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Specification
The 4-(3-Phenylpropyl)pyridine, with the CAS registry number 2057-49-0, is also known as Pyridine, 4-(3-phenylpropyl)-. It belongs to the product categories of Heterocyclic Compounds; C9 to C46; Heterocyclic Building Blocks; Pyridines. Its EINECS registry number is 218-159-1. This chemical's molecular formula is C14H15N and molecular weight is 197.2756. Its IUPAC name is called 4-(3-phenylpropyl)pyridine. What's more, the product should be sealed and stored in cool, dry and well-ventilated place.
Physical properties of 4-(3-Phenylpropyl)pyridine: (1)ACD/LogP: 3.59; (2)ACD/LogD (pH 5.5): 2.94; (3)ACD/LogD (pH 7.4): 3.57; (4)ACD/BCF (pH 5.5): 70.31; (5)ACD/BCF (pH 7.4): 303.02; (6)ACD/KOC (pH 5.5): 476.46; (7)ACD/KOC (pH 7.4): 2053.32; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.567; (11)Molar Refractivity: 63.01 cm3; (12)Molar Volume: 192.6 cm3; (13)Surface Tension: 41.8 dyne/cm; (14)Density: 1.023 g/cm3; (15)Flash Point: 131.2 °C; (16)Enthalpy of Vaporization: 54.14 kJ/mol; (17)Boiling Point: 322 °C at 760 mmHg; (18)Vapour Pressure: 0.000541 mmHg at 25°C.
Preparation of 4-(3-Phenylpropyl)pyridine: this chemical can be prepared by vinylbenzene and 4-methyl-pyridine. The reaction time is 3 hours with reaction temperature of 250 - 350 °C. The yield is about 30%.
pyridine.png)
Uses of 4-(3-Phenylpropyl)pyridine: it can be used to produce 1-Methyl-4-(3-phenyl)-propylpyridiniumiodid with iodomethane by heating. This reaction will need solvent acetone with reaction time of 30 min. The yield is about 94%.
pyridine.png)
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)CCCC2=CC=NC=C2
(2)InChI: InChI=1S/C14H15N/c1-2-5-13(6-3-1)7-4-8-14-9-11-15-12-10-14/h1-3,5-6,9-12H,4,7-8H2
(3)InChIKey: AQIIVEISJBBUCR-UHFFFAOYSA-N
