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122-96-3

Basic Information
CAS No.: 122-96-3
Name: 1,4-Piperazinediethanol
Molecular Structure:
Molecular Structure of 122-96-3 (1,4-Piperazinediethanol)
Formula: C8H18N2O2
Molecular Weight: 174.24
Synonyms: 1,4-Bis(2-hydroxyethyl)piperazine;1,4-Di(2-hydroxyethyl)piperazine;N,N'-Bis(b-hydroxyethyl)piperazine;N,N'-Di(2-hydroxyethyl)piperazine;NSC 26892;NSC 31268;NSC 36645;1,4-Bis(b-hydroxyethyl)piperazine;
EINECS: 204-586-0
Density: 1.097 g/cm3
Melting Point: 133.5-136 °C(lit.)
Boiling Point: 305.7 °C at 760 mmHg
Flash Point: 166.2 °C
Solubility: Soluble in water.
Appearance: white crystalline powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 37/39-26
Transport Information:
PSA: 46.94000
LogP: -1.53560
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  • N,N'-Bis(2-hydroxyethyl)piperazine

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  • 1,4-Piperazinediethanol

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    122-96-3

    1,4-Piperazinediethanol

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  • 1,4-BIS(2-HYDROXYETHYL)PIPERAZINE

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    122-96-3

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  • 1,4-BIS(2-HYDROXYETHYL)PIPERAZINE

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    122-96-3

    1,4-BIS(2-HYDROXYETHYL)PIPERAZINE

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  • Casno:

    122-96-3

    N,N'-Bis(2-hydroxyethyl)piperazine

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  • 1,4-Piperazinediethanol

  • Casno:

    122-96-3

    1,4-Piperazinediethanol

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The CAS registry number of 1,4-Piperazinediethanol is 122-96-3. The IUPAC name is with the molecular formula C8H18N2O2. In addition, it is a white crystalline powder which can be used as chemical reagents and organic intermediates. What's more, it should be stored in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: -1.14; (2)ACD/LogD (pH 5.5): -2.28; (3)ACD/LogD (pH 7.4): -1.21; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 4.91; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 24.94 Å2; (12)Index of Refraction: 1.507; (13)Molar Refractivity: 47.3 cm3; (14)Molar Volume: 158.7 cm3; (15)Polarizability: 18.75 ×10-24cm3; (16)Surface Tension: 43.4 dyne/cm; (17)Density: 1.097 g/cm3; (18)Flash Point: 166.2 °C; (19)Enthalpy of Vaporization: 63.34 kJ/mol; (20)Boiling Point: 305.7 °C at 760 mmHg; (21)Vapour Pressure: 7.58E-05 mmHg at 25°C.

Uses of 1,4-Piperazinediethanol: it can be used to get 1,4-bis-(2-chloro-ethyl)-piperazine; dihydrochloride. This reaction will need reagent SOCl2 and solvents dimethylformamide and CHCl3. The reaction time is 6.5 hours by heating. The yield is about 88%.

1,4-Piperazinediethanol can be used to get 1,4-bis-(2-chloro-ethyl)-piperazine; dihydrochloride

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing and gloves. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: OCCN1CCN(CC1)CCO
(2)Std. InChI: InChI=1S/C8H18N2O2/c11-7-5-9-1-2-10(4-3-9)6-8-12/h11-12H,1-8H2
(3)Std. InChIKey: VARKIGWTYBUWNT-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 10mL/kg (10mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LD50 oral 3730uL/kg (3.73mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.