Cas no 2357-25-7 (9H-Purin-6-amine,2-fluoro-9-(phenylmethyl)-)
2357-25-7 structure
Product Name:9H-Purin-6-amine,2-fluoro-9-(phenylmethyl)-
CAS No:2357-25-7
MF:C12H10FN5
MW:243.239704608917
CID:264660
PubChem ID:230656
Update Time:2025-04-19
9H-Purin-6-amine,2-fluoro-9-(phenylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 9H-Purin-6-amine,2-fluoro-9-(phenylmethyl)-
- 9-benzyl-2-fluoropurin-6-amine
- 2-Fluor-9-benzyl-adenin
- 9-Benzyl-2-Fluoradenin
- 9-benzyl-2-fluoro-9h-purin-6-amine
- 9-benzyl-2-fluoro-9H-purin-6-ylamine
- AC1L5K08
- AC1Q4O6S
- Adenine, 9-benzyl-2-fluoro-
- AR-1H5457
- CTK4F1808
- NSC25752
- 9-benzyl-2-fluoroadenine
- DTXSID60282406
- 2357-25-7
- NSC-25752
-
- Inchi： 1S/C12H10FN5/c13-12-16-10(14)9-11(17-12)18(7-15-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,14,16,17)
- InChI Key： BGMJQNHBBPAADW-UHFFFAOYSA-N
- SMILES： FC1N=C(C2=C(N=1)N(C=N2)CC1C=CC=CC=1)N
Computed Properties
- Exact Mass: 243.0922
- Monoisotopic Mass: 243.09202350g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 284
- 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: 2.1
- Topological Polar Surface Area: 69.6?2
Experimental Properties
- PSA: 69.62
- LogP: 2.17710
9H-Purin-6-amine,2-fluoro-9-(phenylmethyl)- Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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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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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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