Name: Piperazine-1,4-diethylamine
SKU: 6531-38-0

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Basic Information

Molecular Structure:
CAS No.:	6531-38-0
Name:	Piperazine-1,4-diethylamine
Article Data:	19

Formula:	C₈H₂₀N₄
Molecular Weight:	172.274
Synonyms:	Piperazine,1,4-bis(2-aminoethyl)- (7CI,8CI);1,4-Bis(2-aminoethyl)-1,4-diazacyclohexane;1,4-Bis(2-aminoethyl)piperazine;1,4-Piperazinediethylamine;N,N'-Bis(2-aminoethyl)piperazine;[2-[4-(2-Aminoethyl)piperazin-1-yl]ethyl]amine;
EINECS:	229-428-8
Density:	1.006g/cm³
Melting Point:	40 °C
Boiling Point:	302.2 °C at 760 mmHg
Flash Point:	151.4 °C
PSA:	58.52000
LogP:	-0.20220

Synthetic route

: 5623-99-4
2‐[4‐(cyanomethyl)piperazin‐1‐yl]acetonitrile

: 6531-38-0
1,4-bis(2-aminoethyl)piperazine

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In tetrahydrofuran for 4h; Reflux;	87%
Stage #1: 2‐[4‐(cyanomethyl)piperazin‐1‐yl]acetonitrile With lithium aluminium tetrahydride In tetrahydrofuran for 3h; Heating / reflux; Stage #2: With potassium hydroxide In tetrahydrofuran; water	80%
With ammonia; hydrogen; nickel In ethanol at 20℃;	73%

: 20541-87-1
N,N'-bis(2-phthalimidoethyl)piperazine

: 6531-38-0
1,4-bis(2-aminoethyl)piperazine

Conditions

Conditions	Yield
With potassium hydroxide; sodium hydroxide at 300 - 330℃;	75%
With hydrogenchloride at 130℃; im Rohr;
With hydrazine hydrate
With hydrazine

: 151-56-4
ethyleneimine

: 140-31-8
aminoethylpiperazine

A: 6531-38-0
1,4-bis(2-aminoethyl)piperazine

B: 24028-46-4
1-<2-(2-aminoethyl)aminoethyl>piperazine

Conditions

Conditions	Yield
With hydrogenchloride In water at 50℃;	A 79.5 % Chromat. B 20.5 % Chromat.
With hydrogenchloride In water at 25℃; Kinetics; Thermodynamic data; acid-catalyzed ring opening reactions at various temperature, Ea, ΔH are given;
With hydrogenchloride In water at 40℃;	A 80.0 % Chromat. B 20.0 % Chromat.

...Expand

piperazine-N.N'-diacetic acid dinitrile: piperazine-N.N'-diacetic acid dinitrile

: 6531-38-0
1,4-bis(2-aminoethyl)piperazine

Conditions

Conditions	Yield
With ethanol; sodium

: 131543-46-9
Glyoxal

: 112-24-3
triethylentetramine

: 6531-38-0
1,4-bis(2-aminoethyl)piperazine

Conditions

Conditions	Yield
With sodium tetrahydroborate In ethanol at -10℃; for 2h;
With sodium tetrahydroborate
With sodium tetrahydroborate In ethanol at 0℃; for 2h;

: 84429-08-3
N,N'-Bis(2-phthalimidoethyl)ethylene diamine

: 6531-38-0
1,4-bis(2-aminoethyl)piperazine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 61 percent / potassium carbonate / 0.17 h / 132 °C 2: 75 percent / aq.sodium hydroxide, potassium hydroxide / 300 - 330 °C View Scheme

: 112-24-3
triethylentetramine

: 6531-38-0
1,4-bis(2-aminoethyl)piperazine

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 65 percent / 195 °C 2: 61 percent / potassium carbonate / 0.17 h / 132 °C 3: 75 percent / aq.sodium hydroxide, potassium hydroxide / 300 - 330 °C View Scheme

: 6531-38-0
1,4-bis(2-aminoethyl)piperazine

: C15H11NO3

: C38H38N6O4

Conditions

Conditions	Yield
In ethanol at 80℃; for 8h;	92%

: 6531-38-0
1,4-bis(2-aminoethyl)piperazine

: nickel(II) perchlorate hexahydrate

: (3-[4-(3-aminopropyl)-piperazin-1-yl]-propylamine)nickel(II) perchlorate

Conditions

Conditions	Yield
In methanol refluxed for 2 h; ppt. filtered, washed with cold MeOH, dried; elem. anal.;	90%

: 6531-38-0
1,4-bis(2-aminoethyl)piperazine

: 37942-07-7
3,5-di-tert-butyl-2-hydroxybenzaldehyde

: N,N'-bis{2-[(2-ethylimino)methyl]-4,6-di-tert-butylphenol}piperazine

Conditions

Conditions	Yield
In ethanol for 3h; Reflux;	87%

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Specification

The Piperazine-1,4-diethylamine, with CAS registry number 6531-38-0, belongs to the following product categorie: Piperidine. It has the systematic name of 2,2'-piperazine-1,4-diyldiethanamine. And its IUPAC name is 2-[4-(2-aminoethyl)piperazin-1-yl]ethanamine. What's more, its EINECS is 229-428-8.

Physical properties about this chemical are: (1)ACD/LogP: -1.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -6.09; (4)ACD/LogD (pH 7.4): -5.95; (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): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 12.96 Å²; (13)Index of Refraction: 1.511; (14)Molar Refractivity: 51.3 cm³; (15)Molar Volume: 171 cm³; (16)Polarizability: 20.33×10^-24cm³; (17)Surface Tension: 41 dyne/cm; (18)Enthalpy of Vaporization: 54.24 kJ/mol; (19)Vapour Pressure: 0.00101 mmHg at 25°C.

Preparation: this chemical can be prepared by piperazine-1,4-diyl-bis-acetonitrile. This reaction will need reagent H₂, NH₃. The temperature of this chemical is 20 ℃. The yield is about 73%.

Uses of Piperazine-1,4-diethylamine: it can be used to produce N,N'-(2,2'-piperazine-1,4-diyl-diethyl)-bis-phthalimide. This reaction will need reagent Condensation and solvent acetic acid. The yield is about 80%.

You can still convert the following datas into molecular structure:
(1)SMILES: NCCN1CCN(CC1)CCN
(2)InChI: InChI=1/C8H20N4/c9-1-3-11-5-7-12(4-2-10)8-6-11/h1-10H2
(3)InChIKey: PAOXFRSJRCGJLV-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C8H20N4/c9-1-3-11-5-7-12(4-2-10)8-6-11/h1-10H2
(5)Std. InChIKey: PAOXFRSJRCGJLV-UHFFFAOYSA-N