Pyridine, 4-heptyl- supplier | CasNO.40089-90-5

Name
4-HEPTYLPYRIDINE
EINECS
CAS No. 40089-90-5
Article Data4
CAS DataBase
Density 0.895 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₉N
Boiling Point 264.467 °C at 760 mmHg
Molecular Weight 177.29
Flash Point 127.716 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-HEPTYLPYRIDINE;4-N-HEPTYLPYRIDINE
PSA 12.89000
LogP 3.59450

Pyridine, 4-heptyl- Specification

The Pyridine, 4-heptyl- has CAS registry number 40089-90-5. This chemical's molecular formula is C₁₂H₁₉N and molecular weight is 177.29. What's more, its IUPAC name is 4-Heptylpyridine.

Physical properties of Pyridine, 4-heptyl- are: (1)ACD/LogP: 4.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 235; (6)ACD/BCF (pH 7.4): 1178; (7)ACD/KOC (pH 5.5): 1077; (8)ACD/KOC (pH 7.4): 5413; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 12.89 Å²; (13)Index of Refraction: 1.488; (14)Molar Refractivity: 57.058 cm³; (15)Molar Volume: 198.008 cm³; (16)Polarizability: 22.619×10^-24cm³; (17)Surface Tension: 33.661 dyne/cm; (18)Density: 0.895 g/cm³; (19)Flash Point: 127.716 °C; (20)Enthalpy of Vaporization: 48.209 kJ/mol; (21)Boiling Point: 264.467 °C at 760 mmHg; (22)Vapour Pressure: 0.016 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCCCCCc1ccncc1
(2)Std. InChI: InChI=1S/C12H19N/c1-2-3-4-5-6-7-12-8-10-13-11-9-12/h8-11H,2-7H2,1H3
(3)Std. InChIKey: JOSRHPJBIOMTCK-UHFFFAOYSA-N

Product Name

4-HEPTYLPYRIDINE

Pyridine, 4-heptyl- Specification

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