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611225-86-6

Basic Information
CAS No.: 611225-86-6
Name: 4-(4-ETHYL-PIPERAZIN-1-YLMETHYL)-PHENYLAMINE
Article Data: 5
Molecular Structure:
Molecular Structure of 611225-86-6 (4-(4-ETHYL-PIPERAZIN-1-YLMETHYL)-PHENYLAMINE)
Formula: C13H21N3
Molecular Weight: 219.33
Synonyms: 1-(4-Aminobenzyl)-4-ethylpiperazine;4-(4-Ethylpiperazin-1-ylmethyl)aniline;[4-[(4-Ethylpiperazin-1-yl)methyl]phenyl]amine;
EINECS: 604-604-1
Density: 1.06 g/cm3
Boiling Point: 346.2 °C at 760 mmHg
Flash Point: 160.8 °C
Hazard Symbols: IrritantXi
PSA: 32.50000
LogP: 1.86330
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  • 4-(4-ETHYLPIPERAZIN-1-YLMETHYL)PHENYLAMINE  CAS NO.611225-86-6

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Specification

This chemical is called Benzenamine, 4-[(4-ethyl-1-piperazinyl)methyl]-, and its IUPAC name is 4-[(4-ethylpiperazin-1-yl)methyl]aniline. With the molecular formula of C13H21N3, its molecular weight is 221.34. The CAS registry number of this chemical is 611225-86-6. Additionally, its product category is Ethyl. 

Other characteristics of the Benzenamine, 4-[(4-ethyl-1-piperazinyl)methyl]- can be summarised as followings: (1)ACD/LogP: 0.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.8; (4)ACD/LogD (pH 7.4): -0.16; (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): 13.83; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 9.72 Å2; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 68.3 cm3; (15)Molar Volume: 206.7 cm3; (16)Polarizability: 27.07×10-24cm3; (17)Surface Tension: 44.9 dyne/cm; (18)Density: 1.06 g/cm3; (19)Flash Point: 160.8 °C; (20)Enthalpy of Vaporization: 59.04 kJ/mol; (21)Boiling Point: 346.2 °C at 760 mmHg; (22)Vapour Pressure: 5.84E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: N2(Cc1ccc(N)cc1)CCN(CC)CC2
2.InChI: InChI=1/C13H21N3/c1-2-15-7-9-16(10-8-15)11-12-3-5-13(14)6-4-12/h3-6H,2,7-11,14H2,1H3
3.InChIKey: VVTIATCVLPUOPW-UHFFFAOYAZ