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436099-89-7

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Basic Information
CAS No.: 436099-89-7
Name: 4-(3-Methyl-piperidin-1-yl)-piperidine
Molecular Structure:
Molecular Structure of 436099-89-7 (4-(3-Methyl-piperidin-1-yl)-piperidine)
Formula: C11H22N2
Molecular Weight: 182.31
Synonyms: 3-Methyl-1, 4'-bipiperidine;
Density: 0.941 g/cm3
Boiling Point: 252.4 °C at 760 mmHg
Flash Point: 89.9 °C
PSA: 15.27000
LogP: 1.73700
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    4-(3-METHYL-PIPERIDIN-1-YL)-PIPERIDINEAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

The 4-(3-Methyl-piperidin-1-yl)-piperidine, with the CAS registry number of 436099-89-7, is also known as 3-Methyl-[1, 4']bipiperidinyl. This chemical's molecular formula is C11H22N2 and molecular weight is 182.31. What's more, its systematic name is called 3-Methyl-1, 4'-bipiperidine.

Physical properties about 4-(3-Methyl-piperidin-1-yl)-piperidine are: (1)ACD/LogP: 2.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.08; (4)ACD/LogD (pH 7.4): -1.71; (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: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.487; (14)Molar Refractivity: 55.78 cm3; (15)Molar Volume: 193.6 cm3; (16)Surface Tension: 32.4 dyne/cm; (17)Density: 0.941 g/cm3; (18)Flash Point: 89.9 °C; (19)Enthalpy of Vaporization: 48.97 kJ/mol; (20)Boiling Point: 252.4 °C at 760 mmHg; (21)Vapour Pressure: 0.0194 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N2CCC(N1CCCC(C1)C)CC2
(2) InChI: InChI=1/C11H22N2/c1-10-3-2-8-13(9-10)11-4-6-12-7-5-11/h10-12H,2-9H2,1H3
(3) InChIKey: HOMQMBUOTAUPAK-UHFFFAOYAN