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CAS No.: | 38944-14-8 |
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Name: | 2-(4-Chlorophenyl)pyrrolidine |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C10H12ClN |
Molecular Weight: | 181.665 |
Synonyms: | 2-(4-Chlorophenyl)pyrrolidine;2-(p-Chlorophenyl)pyrrolidine; |
Density: | 1.129 g/cm3 |
Boiling Point: | 269.4 °C at 760 mmHg |
Flash Point: | 116.7 °C |
Hazard Symbols: | C,Xi |
PSA: | 12.03000 |
LogP: | 3.09330 |
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The 2-(4-Chlorophenyl)pyrrolidine is an organic compound with the formula C10H12ClN. The IUPAC name of this chemical is 2-(4-chlorophenyl)pyrrolidine. With the CAS registry number 38944-14-8, it is also named as Pyrrolidine, 2-(4-chlorophenyl)-. The product's category is Pyrrole & Pyrrolidine & Pyrroline.
Physical properties about 2-(4-Chlorophenyl)pyrrolidine are: (1)ACD/LogP: 2.38; (2)ACD/LogD (pH 5.5): -0.72; (3)ACD/LogD (pH 7.4): -0.31; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 3.24 Å2; (12)Index of Refraction: 1.548; (13)Molar Refractivity: 51.13 cm3; (14)Molar Volume: 160.8 cm3; (15)Polarizability: 20.27×10-24cm3; (16)Surface Tension: 39 dyne/cm; (17)Density: 1.129 g/cm3; (18)Flash Point: 116.7 °C; (19)Enthalpy of Vaporization: 50.75 kJ/mol; (20)Boiling Point: 269.4 °C at 760 mmHg; (21)Vapour Pressure: 0.00728 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1)C2NCCC2
(2)InChI: InChI=1/C10H12ClN/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h3-6,10,12H,1-2,7H2
(3)InChIKey: CIHHGGKKRPPWSU-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C10H12ClN/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h3-6,10,12H,1-2,7H2
(5)Std. InChIKey: CIHHGGKKRPPWSU-UHFFFAOYSA-N