Cas no 115204-53-0 (9H-Purin-6-amine,2-chloro-N,N-dimethyl-9-(phenylmethyl)-)
115204-53-0 structure
Product Name:9H-Purin-6-amine,2-chloro-N,N-dimethyl-9-(phenylmethyl)-
CAS No:115204-53-0
MF:C14H14ClN5
MW:287.747460842133
CID:174035
PubChem ID:3010180
Update Time:2025-04-19
9H-Purin-6-amine,2-chloro-N,N-dimethyl-9-(phenylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 9H-Purin-6-amine,2-chloro-N,N-dimethyl-9-(phenylmethyl)-
- 9-benzyl-2-chloro-N,N-dimethylpurin-6-amine
- CHEMBL294289
- 9-benzyl-2-chloro-N,N-dimethyl-purin-6-amine
- 9H-Purin-6-amine, 2-chloro-N,N-dimethyl-9-(phenylmethyl)-
- 9-Benzyl-2-chloro-N,N-dimethyl-9H-purin-6-amine
- DTXSID50150988
- 115204-53-0
-
- Inchi： 1S/C14H14ClN5/c1-19(2)12-11-13(18-14(15)17-12)20(9-16-11)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
- InChI Key： XTPFRQATVYIILF-UHFFFAOYSA-N
- SMILES： ClC1N=C(C2=C(N=1)N(C=N2)CC1C=CC=CC=1)N(C)C
Computed Properties
- Exact Mass: 287.09402
- Monoisotopic Mass: 287.0937732g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 321
- 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: 3.5
- Topological Polar Surface Area: 46.8?2
Experimental Properties
- PSA: 46.84
9H-Purin-6-amine,2-chloro-N,N-dimethyl-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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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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