Cas no 93214-96-1 (1H-Purine-2,6-dione,8-(cyclopentylmethyl)-3,9-dihydro-1,3-dimethyl-)
93214-96-1 structure
Product Name:1H-Purine-2,6-dione,8-(cyclopentylmethyl)-3,9-dihydro-1,3-dimethyl-
CAS No:93214-96-1
MF:C13H18N4O2
MW:262.307622432709
CID:817783
PubChem ID:265599
Update Time:2025-04-19
1H-Purine-2,6-dione,8-(cyclopentylmethyl)-3,9-dihydro-1,3-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Purine-2,6-dione,8-(cyclopentylmethyl)-3,9-dihydro-1,3-dimethyl-
- NSC-101799
- 8-(Cyclopentylmethyl)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione
- 93214-96-1
- 8-(cyclopentylmethyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
- DTXSID60918596
- 8-(Cyclopentylmethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
- NSC101799
-
- Inchi： 1S/C13H18N4O2/c1-16-11-10(12(18)17(2)13(16)19)14-9(15-11)7-8-5-3-4-6-8/h8H,3-7H2,1-2H3,(H,14,15)
- InChI Key： FEXVRZBSAAFDMV-UHFFFAOYSA-N
- SMILES： O=C1C2=C(N(C)C(N1C)=O)N=C(CC1CCCC1)N2
Computed Properties
- Exact Mass: 262.143
- Monoisotopic Mass: 262.143
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 394
- 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: 2.5
- Topological Polar Surface Area: 69.3?2
Experimental Properties
- Density: 1.308
- Boiling Point: 509.4°Cat760mmHg
- Flash Point: 261.9°C
- Refractive Index: 1.605
1H-Purine-2,6-dione,8-(cyclopentylmethyl)-3,9-dihydro-1,3-dimethyl- Related Literature
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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