Cas no 2836-31-9 (9H-Purine-8-methanol, a-phenyl-)
2836-31-9 structure
Product Name:9H-Purine-8-methanol, a-phenyl-
CAS No:2836-31-9
MF:C12H10N4O
MW:226.234001636505
CID:281127
PubChem ID:255248
Update Time:2025-04-19
9H-Purine-8-methanol, a-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 9H-Purine-8-methanol, a-phenyl-
- AC1L5S05
- AC1Q4WQ7
- AG-J-23368
- AR-1L0565
- CTK4G1315
- NSC80599
- phenyl-(7(9)H-purin-8-yl)-methanol
- phenyl(7h-purin-8-yl)methanol
- 2836-31-9
- NSC-80599
- DTXSID80292168
- Phenyl(9H-purin-8-yl)methanol
-
- Inchi： 1S/C12H10N4O/c17-10(8-4-2-1-3-5-8)12-15-9-6-13-7-14-11(9)16-12/h1-7,10,17H,(H,13,14,15,16)
- InChI Key： CWHCPULSSXOYNY-UHFFFAOYSA-N
- SMILES： OC(C1C=CC=CC=1)C1=NC2=C(C=NC=N2)N1
Computed Properties
- Exact Mass: 226.0856
- Monoisotopic Mass: 226.08546096g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 257
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.9
- Topological Polar Surface Area: 74.7?2
Experimental Properties
- PSA: 74.69
9H-Purine-8-methanol, a-phenyl- Related Literature
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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