CAS No.6722-54-9,1-(2-Methoxyphenethyl)piperazine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6722-54-9
Name:	1-(2-Methoxyphenethyl)piperazine
Article Data:	3

Formula:	C₁₃H₂₀N₂O
Molecular Weight:	220.315
Synonyms:	1-(2-Methoxyphenethyl)piperazine;
EINECS:	229-773-4
Density:	1.022 g/cm³
Melting Point:	11 °C
Boiling Point:	328.9 °C at 760 mmHg
Flash Point:	152.7 °C
PSA:	24.50000
LogP:	1.54600

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Specification

The 1-(2-Methoxyphenethyl)piperazine, with CAS registry number 6722-54-9, has the systematic name of 1-[2-(2-methoxyphenyl)ethyl]piperazine. And its IUPAC name is 1-(2-methoxy-2-phenylethyl)piperazine. Besides this, it is also called Piperazine, 1-[2-(2-methoxyphenyl)ethyl]-.

Physical properties about this chemical are: (1)ACD/LogP: 1.69; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 2.71; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 24.5 Å²; (11)Index of Refraction: 1.522; (12)Molar Refractivity: 65.85 cm³; (13)Molar Volume: 215.8 cm³; (14)Polarizability: 26.1×10^-24cm³; (15)Surface Tension: 35.7 dyne/cm; (16)Enthalpy of Vaporization: 57.13 kJ/mol; (17)Vapour Pressure: 0.000184 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc2ccccc2CCN1CCNCC1
(2)InChI: InChI=1/C13H20N2O/c1-16-13-5-3-2-4-12(13)6-9-15-10-7-14-8-11-15/h2-5,14H,6-11H2,1H3
(3)InChIKey: SMYVCLYJLPIIME-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C13H20N2O/c1-16-13-5-3-2-4-12(13)6-9-15-10-7-14-8-11-15/h2-5,14H,6-11H2,1H3
(5)Std. InChIKey: SMYVCLYJLPIIME-UHFFFAOYSA-N