Mixture of 8-ethyl-5,8-dihydro-5-oxo-2-(1-piperazinyl)pyrido[2,3-d]pyrimidine-6-carboxylic acid + 1-Octanol

8-ethyl-5,8-dihydro-5-oxo-2-(1-piperazinyl)pyrido[2,3-d]pyrimidine-6-carboxylic acid

Name
8-ethyl-5,8-dihydro-5-oxo-2-(1-piperazinyl)pyrido[2,3-d]pyrimidine-6-carboxylic acid
InChI
InChI=1S/C14H17N5O3/c1-2-18-8-10(13(21)22)11(20)9-7-16-14(17-12(9)18)19-5-3-15-4-6-19/h7-8,15H,2-6H2,1H3,(H,21,22)
InChI Key
JOHZPMXAZQZXHR-UHFFFAOYSA-N
Formula
C14H17N5O3
SMILES
CCn1cc(C(=O)[O-])c(=O)c2cnc(N3CC[NH2+]CC3)nc21
Mol. Weight (g/mol)
303.32

1-Octanol

Name
1-Octanol
InChI
InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3
InChI Key
KBPLFHHGFOOTCA-UHFFFAOYSA-N
Formula
C8H18O
SMILES
CCCCCCCCO
Mol. Weight (g/mol)
130.23
CAS
111-87-5
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Datasets

  1. Mole fraction

Mole fraction of 8-ethyl-5,8-dihydro-5-oxo-2-(1-piperazinyl)pyrido[2,3-d]pyrimidine-6-carboxylic acid (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Temperature, K - Liquid Mole fraction of 8-ethyl-5,8-dihydro-5-oxo-2-(1-piperazinyl)pyrido[2,3-d]pyrimidine-6-carboxylic acid (1) - Liquid
293.15 9.1380e-07
298.15 1.2050e-06
303.15 1.5690e-06
308.15 2.0280e-06
313.15 2.6020e-06
318.15 3.2490e-06
323.15 4.0490e-06
328.15 4.9690e-06
333.15 6.0210e-06

Sources