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CAS No.: | 79601-21-1 |
---|---|
Name: | 3-(3-METHOXYPHENYL)-PIPERIDINE |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C12H17NO |
Molecular Weight: | 191.273 |
Synonyms: | 3-(3-Methoxyphenyl)piperidine; |
Density: | 1.003 g/cm3 |
Boiling Point: | 303.682 °C at 760 mmHg |
Flash Point: | 122.355 °C |
PSA: | 21.26000 |
LogP: | 2.49100 |
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The Piperidine,3-(3-methoxyphenyl)-, with the CAS registry number of 79601-21-1, is also known as 3-(3-Methoxyphenyl)piperidine. This chemical's molecular formula is C12H17NO. What's more, both its IUPAC name and systematic name is 3-(3-methoxyphenyl)piperidine.
Physical properties about the Piperidine,3-(3-methoxyphenyl)- are: (1)ACD/LogP: 2.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 21.26 Å2; (13)Index of Refraction: 1.515; (14)Molar Refractivity: 57.529 cm3; (15)Molar Volume: 190.674 cm3; (16)Surface Tension: 34.791 dyne/cm; (17)Density: 1.003 g/cm3; (18)Flash Point: 122.355 °C; (19)Enthalpy of Vaporization: 54.399 kJ/mol; (20)Boiling Point: 303.682 °C at 760 mmHg; (21)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1) SMILES: COc1cc(ccc1)C2CCCNC2
(2)InChI:InChI=1/C12H17NO/c1-14-12-6-2-4-10(8-12)11-5-3-7-13-9-11/h2,4,6,8,11,13H,3,5,7,9H2,1H3
(3) InChIKey:LXCUAFVVTHZALS-UHFFFAOYAO