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CAS No.: | 28672-54-0 |
---|---|
Name: | 2-(2-ETHOXYETHYL)PYRIDINE |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C9H13NO |
Molecular Weight: | 151.208 |
Synonyms: | NSC 163912;2-(2-Ethoxyethyl)pyridine; |
EINECS: | 249-140-6 |
Density: | 0.976 g/cm3 |
Boiling Point: | 201.6 °C at 760 mmHg |
Flash Point: | 72.5 °C |
PSA: | 22.12000 |
LogP: | 1.66060 |
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This chemical is called Pyridine,2-(2-ethoxyethyl)-, and its systematic name is 2-(2-Ethoxyethyl)pyridine. With the molecular formula of C9H13NO, its molecular weight is 151.21. The CAS registry number of the chemical is 28672-54-0.
Other characteristics of Pyridine,2-(2-ethoxyethyl)- can be summarised as followings: (1)ACD/LogP: 1.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.94; (4)ACD/LogD (pH 7.4): 1.18; (5)ACD/BCF (pH 5.5): 2.69; (6)ACD/BCF (pH 7.4): 4.61; (7)ACD/KOC (pH 5.5): 60.49; (8)ACD/KOC (pH 7.4): 103.58; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 22.12 Å2; (13)Index of Refraction: 1.491; (14)Molar Refractivity: 44.9 cm3; (15)Molar Volume: 154.8 cm3; (16)Polarizability: 17.8×10-24cm3; (17)Surface Tension: 35.2 dyne/cm; (18)Density: 0.976 g/cm3; (19)Flash Point: 72.5 °C; (20)Enthalpy of Vaporization: 41.99 kJ/mol; (21)Boiling Point: 201.6 °C at 760 mmHg; (22)Vapour Pressure: 0.434 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O(CCc1ncccc1)CC
2.InChI: InChI=1/C9H13NO/c1-2-11-8-6-9-5-3-4-7-10-9/h3-5,7H,2,6,8H2,1H3
3.InChIKey: BVFWKBCHXXZOJJ-UHFFFAOYAX
4.Std. InChI: InChI=1S/C9H13NO/c1-2-11-8-6-9-5-3-4-7-10-9/h3-5,7H,2,6,8H2,1H3
5.Std. InChIKey: BVFWKBCHXXZOJJ-UHFFFAOYSA-N