Basic Information | Post buying leads | Suppliers |
Name |
2-(3-Phenoxyphenyl)pyrrolidine |
EINECS | N/A |
CAS No. | 68548-75-4 | Density | 1.09 g/cm3 |
PSA | 21.26000 | LogP | 4.23220 |
Solubility | N/A | Melting Point |
N/A |
Formula | C16H17NO | Boiling Point | 360.8 °C at 760 mmHg |
Molecular Weight | 239.317 | Flash Point | 149.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-(3-Phenoxyphenyl)pyrrolidine; |
The Pyrrolidine, 2-(3-phenoxyphenyl)- has CAS registry number 68548-75-4. This chemical's molecular formula is C16H17NO and molecular weight is 239.31. What's more, its systematic name is 2-(3-Phenoxyphenyl)pyrrolidine.
Physical properties about Pyrrolidine, 2-(3-phenoxyphenyl)- are: (1)ACD/LogP: 3.77; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 12.47 Å2; (7)Index of Refraction: 1.576; (8)Molar Refractivity: 72.68 cm3; (9)Molar Volume: 219.5 cm3; (10)Polarizability: 28.81×10-24 cm3; (11)Surface Tension: 41.5 dyne/cm; (12)Density: 1.09 g/cm3; (13)Flash Point: 149.3 °C; (14)Enthalpy of Vaporization: 60.66 kJ/mol; (15)Boiling Point: 360.8 °C at 760 mmHg; (16)Vapour Pressure: 2.16E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O(c1cccc(c1)C2NCCC2)c3ccccc3
(2) InChI: InChI=1/C16H17NO/c1-2-7-14(8-3-1)18-15-9-4-6-13(12-15)16-10-5-11-17-16/h1-4,6-9,12,16-17H,5,10-11H2
(3) InChIKey: XTMLHQBXJIIWOX-UHFFFAOYAF