Cas no 62134-32-1 (1H-Purine, 6-(heptyloxy)-)
1H-Purine, 6-(heptyloxy)- structure
Product Name:1H-Purine, 6-(heptyloxy)-
CAS No:62134-32-1
MF:C12H18N4O
MW:234.297522068024
CID:456917
PubChem ID:21201180
Update Time:2025-04-19
1H-Purine, 6-(heptyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Purine, 6-(heptyloxy)-
- 6-heptoxy-7H-purine
- ATKMTEHDPYMKBD-UHFFFAOYSA-N
- 6-(Heptyloxy)-7H-purine
- 6-heptyloxypurine
- SCHEMBL7027155
- 62134-32-1
- DTXSID30611360
-
- Inchi： 1S/C12H18N4O/c1-2-3-4-5-6-7-17-12-10-11(14-8-13-10)15-9-16-12/h8-9H,2-7H2,1H3,(H,13,14,15,16)
- InChI Key： ATKMTEHDPYMKBD-UHFFFAOYSA-N
- SMILES： O(C1=C2C(=NC=N1)N=CN2)CCCCCCC
Computed Properties
- Exact Mass: 234.14824
- Monoisotopic Mass: 234.14806121g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 7
- Complexity: 215
- 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: 3.4
- Topological Polar Surface Area: 63.7?2
Experimental Properties
- PSA: 58.34
1H-Purine, 6-(heptyloxy)- Related Literature
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
62134-32-1 (1H-Purine, 6-(heptyloxy)-) Related Products
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