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CAS No.: | 13669-28-8 |
---|---|
Name: | 1-Methyl-4-methylene-piperidine |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C7H13N |
Molecular Weight: | 111.187 |
Synonyms: | 1-Methyl-4-methylenepiperidine;N-Methyl-4-methylenepiperidine; |
Density: | 0.87g/cm3 |
Boiling Point: | 140.5 °C at 760 mmHg |
Flash Point: | 30.8 °C |
PSA: | 3.24000 |
LogP: | 1.20610 |
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The Piperidine,1-methyl-4-methylene-, with CAS registry number 13669-28-8, has the systematic name of 1-methyl-4-methylidenepiperidine. Besides this, it is also called N-Methyl-4-methylenepiperidine. Its molecular weight is 111.18482. And the chemical formula of this chemical is C7H13N.
Physical properties of Piperidine,1-methyl-4-methylene-: (1)ACD/LogP: 1.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.36; (4)ACD/LogD (pH 7.4): -0.11; (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): 3.3; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.475; (14)Molar Refractivity: 35.82 cm3; (15)Molar Volume: 127.2 cm3; (16)Polarizability: 14.2×10-24cm3; (17)Surface Tension: 27.9 dyne/cm; (18)Density: 0.87 g/cm3; (19)Flash Point: 30.8 °C; (20)Enthalpy of Vaporization: 37.77 kJ/mol; (21)Boiling Point: 140.5 °C at 760 mmHg; (22)Vapour Pressure: 6.13 mmHg at 25°C.
Preparation: this chemical can be prepared by 1-methyl-piperidin-4-one and methyl-triphenyl-phosphonium; iodide. This reaction will need reagent BuLi and solvents hexane, diethyl ether. The reaction time is 2 hour(s). The yield is about 51%.
You can still convert the following datas into molecular structure:
(1)SMILES: C=C1\CCN(C)CC1
(2)InChI: InChI=1/C7H13N/c1-7-3-5-8(2)6-4-7/h1,3-6H2,2H3
(3)InChIKey: XOLRMKKIFJFIOV-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C7H13N/c1-7-3-5-8(2)6-4-7/h1,3-6H2,2H3
(5)Std. InChIKey: XOLRMKKIFJFIOV-UHFFFAOYSA-N