Cas no 6972-38-9 (6H-Purin-6-one,1,9-dihydro-9-propyl-)
6972-38-9 structure
Product Name:6H-Purin-6-one,1,9-dihydro-9-propyl-
CAS No:6972-38-9
MF:C8H10N4O
MW:178.191200733185
CID:519723
PubChem ID:135408707
Update Time:2025-04-19
6H-Purin-6-one,1,9-dihydro-9-propyl- Chemical and Physical Properties
Names and Identifiers
-
- 6H-Purin-6-one,1,9-dihydro-9-propyl-
- 9-Anthracenecarboxylic acid, propyl ester
- 9-n-Propylhypoxanthin
- 9-propyl anthroate
- 9-propyl-1,9-dihydro-purin-6-one
- 9-Propyl-6-hydroxy-9H-purin
- 9-propylhypoxanthine
- CTK2H3103
- n-propyl 9-anthracenecarboxylate
- Propyl 9-Anthroate
- 9-Propyl-9H-purin-6-ol
- NSC-61978
- SCHEMBL20782416
- 6972-38-9
- DTXSID60989882
- 9-Propyl-1H-purin-6(9H)-one
- NSC61978
- 9-propyl-6,9-dihydro-1H-purin-6-one
-
- Inchi： 1S/C8H10N4O/c1-2-3-12-5-11-6-7(12)9-4-10-8(6)13/h4-5H,2-3H2,1H3,(H,9,10,13)
- InChI Key： CFVLOIWZKLJNRW-UHFFFAOYSA-N
- SMILES： O=C1C2=C(N=CN1)N(C=N2)CCC
Computed Properties
- Exact Mass: 178.0856
- Monoisotopic Mass: 178.085
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 240
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.3
- Topological Polar Surface Area: 59.3?2
Experimental Properties
- Density: 1.41
- Boiling Point: 429.1°C at 760 mmHg
- Flash Point: 213.3°C
- Refractive Index: 1.691
- PSA: 59.28
- LogP: 0.52960
6H-Purin-6-one,1,9-dihydro-9-propyl- Related Literature
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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