Benzenamine, 4-[(4-ethyl-1-piperazinyl)methyl]- supplier

Name
4-(4-ETHYL-PIPERAZIN-1-YLMETHYL)-PHENYLAMINE
EINECS 604-604-1
CAS No. 611225-86-6
Article Data5
CAS DataBase
Density 1.06 g/cm³
Solubility
Melting Point
Formula C₁₃H₂₁N₃
Boiling Point 346.2 °C at 760 mmHg
Molecular Weight 219.33
Flash Point 160.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 1-(4-Aminobenzyl)-4-ethylpiperazine;4-(4-Ethylpiperazin-1-ylmethyl)aniline;[4-[(4-Ethylpiperazin-1-yl)methyl]phenyl]amine;
PSA 32.50000
LogP 1.86330

Benzenamine, 4-[(4-ethyl-1-piperazinyl)methyl]- 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

Product Name

4-(4-ETHYL-PIPERAZIN-1-YLMETHYL)-PHENYLAMINE

Benzenamine, 4-[(4-ethyl-1-piperazinyl)methyl]- Specification

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