Molecular Structure of 4-Pyridinepropanol (CAS NO.2629-72-3):
IUPAC Name: 3-pyridin-4-ylpropan-1-ol
Empirical Formula: C8H11NO
Molecular Weight: 137.179
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 4
Polar Surface Area: 22.12 Å2
Index of Refraction: 1.53
Molar Refractivity: 40.06 cm3
Molar Volume: 129.4 cm3
Surface Tension: 44.5 dyne/cm
Density: 1.059 g/cm3
Flash Point: 117.5 °C
Enthalpy of Vaporization: 53.76 kJ/mol
Boiling Point: 270.7 °C at 760 mmHg
Vapour Pressure: 0.00332 mmHg at 25°C
Melting point: 35-39 °C(lit.)
EINECS: 220-107-8
Product Categories: Heterocyclic Compounds
InChI
InChI=1/C8H11NO/c10-7-1-2-8-3-5-9-6-4-8/h3-6,10H,1-2,7H2
Smiles
n1ccc(cc1)CCCO
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 3
4-Pyridinepropanol , with CAS number of 2629-72-3, can be called 4-(3-Hydroxypropyl)pyridine ; 3-pyridin-4-ylpropan-1-ol ; 3-(Pyridin-4-yl)propan-1-ol ; 3-(4-Pyridyl)-1-propanol ; propanol, 3-(4-pyridyl)- .
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