Mixture of 9-[(1,3-dihydroxy-2-propoxy)methyl] guanine + Acetonitrile + 1-Butanol

9-[(1,3-dihydroxy-2-propoxy)methyl] guanine

Name
9-[(1,3-dihydroxy-2-propoxy)methyl] guanine
InChI
InChI=1S/C9H13N5O4/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17)
InChI Key
IRSCQMHQWWYFCW-UHFFFAOYSA-N
Formula
C9H13N5O4
SMILES
Nc1nc(=O)c2ncn(COC(CO)CO)c2[nH]1
Mol. Weight (g/mol)
255.23

Acetonitrile

Name
Acetonitrile
InChI
InChI=1S/C2H3N/c1-2-3/h1H3
InChI Key
WEVYAHXRMPXWCK-UHFFFAOYSA-N
Formula
C2H3N
SMILES
CC#N
Mol. Weight (g/mol)
41.05
CAS
75-05-8

1-Butanol

Name
1-Butanol
InChI
InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
InChI Key
LRHPLDYGYMQRHN-UHFFFAOYSA-N
Formula
C4H10O
SMILES
CCCCO
Mol. Weight (g/mol)
74.12
CAS
71-36-3
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Datasets

  1. Mole fraction

Mole fraction of 9-[(1,3-dihydroxy-2-propoxy)methyl] guanine (1) [ref]

Operational condition: Pressure, kPa = 101.1 (Liquid)

Fixed Measured
Temperature, K - Liquid Solvent: Mass fraction of Acetonitrile (2) - Liquid Mole fraction of 9-[(1,3-dihydroxy-2-propoxy)methyl] guanine (1) - Liquid
278.15 0.1000 0.0001
283.15 0.1000 0.0001
288.15 0.1000 0.0001
293.15 0.1000 0.0001
298.15 0.1000 0.0002
303.15 0.1000 0.0002
308.15 0.1000 0.0002
313.15 0.1000 0.0002
318.15 0.1000 0.0002
278.15 0.2000 0.0001
283.15 0.2000 0.0001
288.15 0.2000 0.0001
293.15 0.2000 0.0001
298.15 0.2000 0.0001
303.15 0.2000 0.0001
308.15 0.2000 0.0001
313.15 0.2000 0.0001
318.15 0.2000 0.0001
278.15 0.3000 0.0001
283.15 0.3000 0.0001
288.15 0.3000 0.0001
293.15 0.3000 0.0001
298.15 0.3000 0.0001
303.15 0.3000 0.0001
308.15 0.3000 0.0001
313.15 0.3000 0.0001
318.15 0.3000 0.0001
278.15 0.4000 0.0000
283.15 0.4000 0.0000
288.15 0.4000 0.0000
293.15 0.4000 0.0000
298.15 0.4000 0.0001
303.15 0.4000 0.0001
308.15 0.4000 0.0001
313.15 0.4000 0.0001
318.15 0.4000 0.0001
278.15 0.5000 0.0000
283.15 0.5000 0.0000
288.15 0.5000 0.0000
293.15 0.5000 0.0000
298.15 0.5000 0.0000
303.15 0.5000 0.0000
308.15 0.5000 0.0000
313.15 0.5000 0.0001
318.15 0.5000 0.0001
278.15 0.6000 0.0000
283.15 0.6000 0.0000
288.15 0.6000 0.0000
293.15 0.6000 0.0000
298.15 0.6000 0.0000
303.15 0.6000 0.0000
308.15 0.6000 0.0000
313.15 0.6000 0.0000
318.15 0.6000 0.0000
278.15 0.7000 0.0000
283.15 0.7000 0.0000
288.15 0.7000 0.0000
293.15 0.7000 0.0000
298.15 0.7000 0.0000
303.15 0.7000 0.0000
308.15 0.7000 0.0000
313.15 0.7000 0.0000
318.15 0.7000 0.0000
278.15 0.8000 0.0000
283.15 0.8000 0.0000
288.15 0.8000 0.0000
293.15 0.8000 0.0000
298.15 0.8000 0.0000
303.15 0.8000 0.0000
308.15 0.8000 0.0000
313.15 0.8000 0.0000
318.15 0.8000 0.0000
278.15 0.9000 0.0000
283.15 0.9000 0.0000
288.15 0.9000 0.0000
293.15 0.9000 0.0000
298.15 0.9000 0.0000
303.15 0.9000 0.0000
308.15 0.9000 0.0000
313.15 0.9000 0.0000
318.15 0.9000 0.0000
278.15 1.0000 0.0000
283.15 1.0000 0.0000
288.15 1.0000 0.0000
293.15 1.0000 0.0000
298.15 1.0000 0.0000
303.15 1.0000 0.0000
308.15 1.0000 0.0000
313.15 1.0000 0.0000
318.15 1.0000 0.0000
278.15 0.0000 0.0002
283.15 0.0000 0.0002
288.15 0.0000 0.0002
293.15 0.0000 0.0003
298.15 0.0000 0.0003
303.15 0.0000 0.0003
308.15 0.0000 0.0003
313.15 0.0000 0.0003
318.15 0.0000 0.0003

Sources