Mixture of Choline chloride + Allopurinol + 1,2-Ethanediol

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Choline chloride

Name
Choline chloride
InChI
InChI=1S/C5H14NO.ClH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1
InChI Key
SGMZJAMFUVOLNK-UHFFFAOYSA-M
Formula
C5H14ClNO
SMILES
C[N+](C)(C)CCO.[Cl-]
Mol. Weight (g/mol)
139.62
CAS
67-48-1

Allopurinol

Name
Allopurinol
InChI
InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)
InChI Key
OFCNXPDARWKPPY-UHFFFAOYSA-N
Formula
C5H4N4O
SMILES
O=c1[nH]cnc2[nH]ncc12
Mol. Weight (g/mol)
136.11
CAS
315-30-0

1,2-Ethanediol

Name
1,2-Ethanediol
InChI
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChI Key
LYCAIKOWRPUZTN-UHFFFAOYSA-N
Formula
C2H6O2
SMILES
OCCO
Mol. Weight (g/mol)
62.07
CAS
107-21-1
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Datasets

  1. Mole fraction (2)

Mole fraction of Allopurinol (2) [ref]

Operational conditions:

Temperature, K - Liquid Mole fraction of Allopurinol (2) - Liquid
293.15 0.0007
298.15 0.0008
303.15 0.0010
308.15 0.0012
313.15 0.0014
318.15 0.0016
323.15 0.0019
328.15 0.0022
333.15 0.0026

Mole fraction of Allopurinol (2) [ref]

Operational conditions:

Temperature, K - Liquid Mole fraction of Allopurinol (2) - Liquid
293.15 0.0007
298.15 0.0008
303.15 0.0010
308.15 0.0012
313.15 0.0014
318.15 0.0016
323.15 0.0019
328.15 0.0022
333.15 0.0026

Sources