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CAS No.: | 68548-73-2 |
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Name: | 2-(4-PHENOXYPHENYL)-PYRROLIDINE |
Molecular Structure: | |
Formula: | C16H17NO |
Molecular Weight: | 239.31 |
Synonyms: | 2-(4-Phenoxyphenyl)-pyrrolidine; |
Density: | 1.09 g/cm3 |
Boiling Point: | 359.9 °C at 760 mmHg |
Flash Point: | 149 °C |
PSA: | 21.26000 |
LogP: | 4.23220 |
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The CAS register number of Pyrrolidine,2-(4-phenoxyphenyl)- is 68548-73-2. The systematic name about this chemical is 2-(4-Phenoxyphenyl)pyrrolidine. The molecular formula about this chemical is C16H17NO and the molecular weight is 239.31.
Physical properties about Pyrrolidine,2-(4-phenoxyphenyl)- are: (1)ACD/LogP: 3.77; (2)ACD/LogD (pH 5.5): 0.68; (3)ACD/LogD (pH 7.4): 0.98; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.16; (7)ACD/KOC (pH 7.4): 4.33; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 21.26 Å2; (12)Index of Refraction: 1.576; (13)Molar Refractivity: 72.68 cm3; (14)Molar Volume: 219.5 cm3; (15)Polarizability: 28.81x10-24cm3; (16)Surface Tension: 41.5 dyne/cm; (17)Density: 1.09 g/cm3; (18)Flash Point: 149 °C; (19)Enthalpy of Vaporization: 60.55 kJ/mol; (20)Boiling Point: 359.9 °C at 760 mmHg; (21)Vapour Pressure: 2.31E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)Oc2ccc(cc2)C3CCCN3
(2)InChI: InChI=1/C16H17NO/c1-2-5-14(6-3-1)18-15-10-8-13(9-11-15)16-7-4-12-17-16/h1-3,5-6,8-11,16-17H,4,7,12H2
(3)InChIKey: GAYHPFQUCQLKKS-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C16H17NO/c1-2-5-14(6-3-1)18-15-10-8-13(9-11-15)16-7-4-12-17-16/h1-3,5-6,8-11,16-17H,4,7,12H2
(5)Std. InChIKey: GAYHPFQUCQLKKS-UHFFFAOYSA-N