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130516-99-3

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Basic Information
CAS No.: 130516-99-3
Name: 4-[2-(2-METHYL-IMIDAZOL-1-YL)-ETHYL]-PIPERIDINE
Molecular Structure:
Molecular Structure of 130516-99-3 (4-[2-(2-METHYL-IMIDAZOL-1-YL)-ETHYL]-PIPERIDINE)
Formula: C11H19N3
Molecular Weight: 193.29
Synonyms: 4-[2-(2-METHYL-IMIDAZOL-1-YL)-ETHYL]-PIPERIDINE;ASINEX-REAG BAS 12820963;TIMTEC-BB SBB010901;4-[2-(2-METHYL-1H-IMIDAZOL-1-YL)ETHYL]PIPERIDINE;ALINDA 98022;4-[2-(2-methyl-1H-imidazol-1-yl)ethyl]piperidine(SALTDATA: FREE)
Density: 1.12g/cm3
Boiling Point: 349.5 °C at 760 mmHg
Flash Point: 165.2 °C
Hazard Symbols: IrritantXi
PSA: 29.85000
LogP: 1.91000
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Specification

The 4-[2-(2-Methyl-1H-imidazol-1-yl)ethyl]piperidine, with CAS registry number 130516-99-3, has the systematic name of 4-[2-(2-methyl-1H-imidazol-1-yl)ethyl]piperidine. Besides this, it is also called 4-[2-(2-Methyl-imidazol-1-yl)-ethyl]-piperidine. And the chemical formula of this chemical is C11H19N3.

Physical properties of 4-[2-(2-Methyl-1H-imidazol-1-yl)ethyl]piperidine: (1)ACD/LogP: 0.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.54; (4)ACD/LogD (pH 7.4): -2.91; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 21.06 Å2; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 58.01 cm3; (15)Molar Volume: 171.9 cm3; (16)Polarizability: 23×10-24cm3; (17)Surface Tension: 41.1 dyne/cm; (18)Density: 1.12 g/cm3; (19)Flash Point: 165.2 °C; (20)Enthalpy of Vaporization: 59.4 kJ/mol; (21)Boiling Point: 349.5 °C at 760 mmHg; (22)Vapour Pressure: 4.68E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1ccn(c1C)CCC2CCNCC2
(2)InChI: InChI=1/C11H19N3/c1-10-13-7-9-14(10)8-4-11-2-5-12-6-3-11/h7,9,11-12H,2-6,8H2,1H3
(3)InChIKey: FPCPADMQGUJDCY-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C11H19N3/c1-10-13-7-9-14(10)8-4-11-2-5-12-6-3-11/h7,9,11-12H,2-6,8H2,1H3
(5)Std. InChIKey: FPCPADMQGUJDCY-UHFFFAOYSA-N