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CAS No.: | 102294-97-3 |
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Name: | 1-(4-IODOBENZYL)-4-METHYLPIPERAZINE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C12H17IN2 |
Molecular Weight: | 316.185 |
Synonyms: | 1-(4-Iodobenzyl)-4-methylpiperazine;1-[(4-iodophenyl)methyl]-4-methylpiperazine; |
Density: | 1.513 g/cm3 |
Melting Point: | 105 °C |
Boiling Point: | 328.8 °C at 760 mmHg |
Flash Point: | 152.7 °C |
PSA: | 6.48000 |
LogP: | 1.91440 |
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The Piperazine,1-[(4-iodophenyl)methyl]-4-methyl-, with the CAS registry number 102294-97-3, is also known as 1-(4-Iodobenzyl)-4-methylpiperazine. It belongs to the product category of Piperidines, Piperidones, Piperazines. This chemical's molecular formula is C12H17IN2 and molecular weight is 316.18. What's more, its IUPAC name is 1-[(4-iodophenyl)methyl]-4-methylpiperazine.
Physical properties of Piperazine,1-[(4-iodophenyl)methyl]-4-methyl- are: (1)ACD/LogP: 1.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.33; (4)ACD/LogD (pH 7.4): 1.37; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 4.7; (7)ACD/KOC (pH 5.5): 1.43; (8)ACD/KOC (pH 7.4): 71.99; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 72.36 cm3; (15)Molar Volume: 208.9 cm3; (16)Polarizability: 28.68×10-24cm3; (17)Surface Tension: 44.9 dyne/cm; (18)Density: 1.513 g/cm3; (19)Flash Point: 152.7 °C; (20)Enthalpy of Vaporization: 57.13 kJ/mol; (21)Boiling Point: 328.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000185 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN1CCN(CC1)CC2=CC=C(C=C2)I
(2)InChI: InChI=1S/C12H17IN2/c1-14-6-8-15(9-7-14)10-11-2-4-12(13)5-3-11/h2-5H,6-10H2,1H3
(3)InChIKey: PCNZBZUWIDAZHV-UHFFFAOYSA-N