Piperidine,1-[(3-iodophenyl)methyl]- supplier

Name
1-(3-IODOBENZYL)PIPERIDINE
EINECS
CAS No. 859850-87-6
Density 1.521 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₆IN
Boiling Point 322.8 °C at 760 mmHg
Molecular Weight 301.17
Flash Point 149.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(3-Iodobenzyl)piperidine;1-(3-Iodo-benzyl)-piperidine;
PSA 3.24000
LogP 3.21500

Piperidine,1-[(3-iodophenyl)methyl]- Specification

The IUPAC name of Piperidine,1-[(3-iodophenyl)methyl]- is 1-[(3-iodophenyl)methyl]piperidine. With the CAS registry number 859850-87-6, it is also named as 1-(3-Iodobenzyl)piperidine. The product's categories are Piperidines, Piperidones, Piperazines. In addition, its molecular formula is C₁₂H₁₆IN and its molecular weight is 301.17.

The other characteristics of Piperidine,1-[(3-iodophenyl)methyl]- can be summarized as: (1)ACD/LogP: 3.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.97; (4)ACD/LogD (pH 7.4): 2.53; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 24.45; (7)ACD/KOC (pH 5.5): 4.14; (8)ACD/KOC (pH 7.4): 150.46; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.61; (13)Molar Refractivity: 68.69 cm³; (14)Molar Volume: 197.8 cm³; (15)Polarizability: 27.23×10^-24cm³; (16)Surface Tension: 45.8 dyne/cm; (17)Density: 1.521 g/cm³; (18)Flash Point: 149.1 °C; (19)Enthalpy of Vaporization: 56.47 kJ/mol; (20)Boiling Point: 322.8 °C at 760 mmHg; (21)Vapour Pressure: 0.000272 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Ic2cc(CN1CCCCC1)ccc2
(2)InChI: InChI=1/C12H16IN/c13-12-6-4-5-11(9-12)10-14-7-2-1-3-8-14/h4-6,9H,1-3,7-8,10H2
(3)InChIKey: DCRZUICHKJGHQK-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C12H16IN/c13-12-6-4-5-11(9-12)10-14-7-2-1-3-8-14/h4-6,9H,1-3,7-8,10H2
(5)Std. InChIKey: DCRZUICHKJGHQK-UHFFFAOYSA-N

Product Name

1-(3-IODOBENZYL)PIPERIDINE

Piperidine,1-[(3-iodophenyl)methyl]- Specification

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