Pyrrolidine,1-[(4-iodophenyl)methyl]- supplier

Name
1-(4-IODOBENZYL)PYRROLIDINE
EINECS
CAS No. 858676-60-5
Article Data4
CAS DataBase
Density 1.593g/cm³
Solubility
Melting Point
Formula C₁₁H₁₄IN
Boiling Point 288.2 °C at 760 mmHg
Molecular Weight 287.143
Flash Point 128.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols C
Synonyms 1-(4-Iodobenzyl)pyrrolidine;
PSA 3.24000
LogP 2.82490

Pyrrolidine,1-[(4-iodophenyl)methyl]- Specification

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

Product Name

1-(4-IODOBENZYL)PYRROLIDINE

Pyrrolidine,1-[(4-iodophenyl)methyl]- Specification

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