Cas no 25491-56-9 (9H-Purine,9-(phenylmethyl)-)
9H-Purine,9-(phenylmethyl)- structure
Product Name:9H-Purine,9-(phenylmethyl)-
CAS No:25491-56-9
MF:C12H10N4
MW:210.23460149765
CID:262754
PubChem ID:234701
Update Time:2025-04-19
9H-Purine,9-(phenylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 9H-Purine,9-(phenylmethyl)-
- 9-benzylpurine
- 9-bemzyl-9H-purine
- 9-Benzyl-9H-purin
- 9-Benzyl-9H-purine
- 9-Benzyl-purin
- AC1L5SSE
- AC1Q4WR0
- CHEMBL267242
- NSC35001
- SureCN434620
- NSC-35001
- 25491-56-9
- 9H-Purine, 9-(phenylmethyl)-
- MDOUSORGCMUMBO-UHFFFAOYSA-N
- DTXSID90284034
- SCHEMBL434620
-
- Inchi： 1S/C12H10N4/c1-2-4-10(5-3-1)7-16-9-15-11-6-13-8-14-12(11)16/h1-6,8-9H,7H2
- InChI Key： MDOUSORGCMUMBO-UHFFFAOYSA-N
- SMILES： N1(C=NC2C=NC=NC1=2)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 210.0907
- Monoisotopic Mass: 210.090546336g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 227
- 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
- Topological Polar Surface Area: 43.6?2
Experimental Properties
- PSA: 43.6
- LogP: 1.87460
9H-Purine,9-(phenylmethyl)- Related Literature
-
Dong-Chao Wang,Ran Xia,Ming-Sheng Xie,Gui-Rong Qu,Hai-Ming Guo Org. Biomol. Chem. 2016 14 4189
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