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219132-76-0

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Basic Information
CAS No.: 219132-76-0
Name: N-[4-(4-Methyl-1-piperazinyl)phenyl]-guanidine
Article Data: 2
Molecular Structure:
Molecular Structure of 219132-76-0 (N-[4-(4-Methyl-1-piperazinyl)phenyl]-guanidine)
Formula: C12H19N5
Molecular Weight: 233.16
Synonyms: 2-[4-(4-methylpiperazin-1-yl)phenyl]guanidine;N-[4-(4-Methyl-1-piperazinyl)phenyl]-guanidine;Guanidine, N-[4-(4-Methyl-1-piperazinyl)phenyl]-
Density: 1.24 g/cm3
Boiling Point: 385.2 °C at 760 mmHg
Flash Point: 186.8 °C
PSA: 68.38000
LogP: 1.61970
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Specification

The CAS registry number of 1-(4-(4-Methylpiperazin-1-yl)phenyl)guanidine is 219132-76-0. This chemical's molecular formula is C12H19N5 and molecular weight is 233.16. What's more, its systematic name is the same as its product name.

Physical properties about 1-(4-(4-Methylpiperazin-1-yl)phenyl)guanidine are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 68.38 Å2; (10)Index of Refraction: 1.636; (11)Molar Refractivity: 67.35 cm3; (12)Molar Volume: 187.7 cm3; (13)Surface Tension: 51.4 dyne/cm; (14)Density: 1.24 g/cm3; (15)Flash Point: 186.8 °C; (16)Enthalpy of Vaporization: 63.4 kJ/mol; (17)Boiling Point: 385.2 °C at 760 mmHg; (18)Vapour Pressure: 3.86E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CN1CCN(CC1)c2ccc(NC(N)=N)cc2
(2) InChI: InChI=1S/C12H19N5/c1-16-6-8-17(9-7-16)11-4-2-10(3-5-11)15-12(13)14/h2-5H,6-9H2,1H3,(H4,13,14,15)
(3) InChIKey: RWOJNAKNHZUALN-UHFFFAOYSA-N