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| CAS No.: | 613676-70-3 |
|---|---|
| Name: | 3-(2-Phenylethyl)pyrrolidine |
| Molecular Structure: | |
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| Formula: | C12H17N |
| Molecular Weight: | 175.27 |
| Synonyms: | 3-(2-PHENYLETHYL)PYRROLIDINE;3-PHENETHYL-PYRROLIDINE;[2-(Pyrrolidin-3-yl)ethyl]benzene |
| EINECS: | 604-604-1 |
| Density: | 0.957 g/cm3 |
| Boiling Point: | 270.3 °C at 760 mmHg |
| Flash Point: | 118.3 °C |
| Hazard Symbols: |
 C
|
| Risk Codes: | 36 |
| Safety: | 26 |
| PSA: | 12.03000 |
| LogP: | 2.55750 |
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- Total:24 Page 1 of 1 1
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Specification
The cas register number of 3-(2-Phenylethyl)pyrrolidine is 613676-70-3. The IUPAC Name about this chemical is 3-phenethylpyrrolidine. This chemical is irritant, so when you using it, please be more careful.
Physical properties about 3-(2-Phenylethyl)pyrrolidine are: (1)ACD/LogP: 2.84; (2)#H bond acceptors: 1; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 3; (5)Polar Surface Area: 3.24Å2; (6)Index of Refraction: 1.519; (7)Molar Refractivity: 55.6 cm3; (8)Molar Volume: 183 cm3; (9)Polarizability: 22.04x10-24cm3; (10)Surface Tension: 36.3 dyne/cm; (11)Flash Point: 118.3 °C; (12)Enthalpy of Vaporization: 50.85 kJ/mol; (13)Boiling Point: 270.3 °C at 760 mmHg; (14)Vapour Pressure: 0.00688 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c(cccc1)CCC2CCNC2
(2)InChI: InChI=1/C12H17N/c1-2-4-11(5-3-1)6-7-12-8-9-13-10-12/h1-5,12-13H,6-10H2
(3)InChIKey: GLZRMVTXAKDQMC-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C12H17N/c1-2-4-11(5-3-1)6-7-12-8-9-13-10-12/h1-5,12-13H,6-10H2
(5)Std. InChIKey: GLZRMVTXAKDQMC-UHFFFAOYSA-N