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CAS No.: | 858676-60-5 |
---|---|
Name: | 1-(4-IODOBENZYL)PYRROLIDINE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C11H14IN |
Molecular Weight: | 287.143 |
Synonyms: | 1-(4-Iodobenzyl)pyrrolidine; |
Density: | 1.593g/cm3 |
Boiling Point: | 288.2 °C at 760 mmHg |
Flash Point: | 128.1 °C |
Hazard Symbols: | C |
PSA: | 3.24000 |
LogP: | 2.82490 |
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The Pyrrolidine,1-[(4-iodophenyl)methyl]-, with CAS registry number 858676-60-5, has the systematic name of 1-(4-iodobenzyl)pyrrolidine. Besides this, it is also called 1-(4-Iodobenzyl)pyrrolidine 97%. Its molecular weight is 287.14. And the chemical formula of this chemical is C11H14IN.
Physical properties of Pyrrolidine,1-[(4-iodophenyl)methyl]-: (1)ACD/LogP: 3.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.17; (4)ACD/LogD (pH 7.4): 1.15; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.4; (7)ACD/KOC (pH 5.5): 1.2; (8)ACD/KOC (pH 7.4): 11.44; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: Å2; (13)Index of Refraction: 1.629; (14)Molar Refractivity: 64.08 cm3; (15)Molar Volume: 180.1 cm3; (16)Polarizability: 25.4×10-24cm3; (17)Surface Tension: 48.2 dyne/cm; (18)Density: 1.593 g/cm3; (19)Flash Point: 128.1 °C; (20)Enthalpy of Vaporization: 52.75 kJ/mol; (21)Boiling Point: 288.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00237 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Ic2ccc(CN1CCCC1)cc2
(2)InChI: InChI=1/C11H14IN/c12-11-5-3-10(4-6-11)9-13-7-1-2-8-13/h3-6H,1-2,7-9H2
(3)InChIKey: RDHZJYCRHTZBIX-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C11H14IN/c12-11-5-3-10(4-6-11)9-13-7-1-2-8-13/h3-6H,1-2,7-9H2
(5)Std. InChIKey: RDHZJYCRHTZBIX-UHFFFAOYSA-N