Piperazine,1-[(4-iodophenyl)methyl]-4-methyl- supplier

Name
1-(4-IODOBENZYL)-4-METHYLPIPERAZINE
EINECS
CAS No. 102294-97-3
Article Data2
CAS DataBase
Density 1.513 g/cm³
Solubility
Melting Point 105 °C
Formula C₁₂H₁₇IN₂
Boiling Point 328.8 °C at 760 mmHg
Molecular Weight 316.185
Flash Point 152.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(4-Iodobenzyl)-4-methylpiperazine;1-[(4-iodophenyl)methyl]-4-methylpiperazine;
PSA 6.48000
LogP 1.91440

Piperazine,1-[(4-iodophenyl)methyl]-4-methyl- Specification

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

Product Name

1-(4-IODOBENZYL)-4-METHYLPIPERAZINE

Piperazine,1-[(4-iodophenyl)methyl]-4-methyl- Specification

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