Cas no 18346-06-0 (7H-Purine,7-(phenylmethyl)-)
7H-Purine,7-(phenylmethyl)- structure
Product Name:7H-Purine,7-(phenylmethyl)-
CAS No:18346-06-0
MF:C12H10N4
MW:210.23460149765
CID:225282
PubChem ID:234879
Update Time:2025-04-19
7H-Purine,7-(phenylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 7H-Purine,7-(phenylmethyl)-
- 7-benzylpurine
- 7-Benzyl-7H-purin
- 7-benzyl-7h-purine
- AC1L5T5T
- AC1Q4WQG
- AR-1H3181
- CTK4D8491
- NSC35650
- SureCN325140
- 18346-06-0
- NSC-35650
- 7-benzyl purine
- NSC 35650
- SCHEMBL325140
- DTXSID60284107
- AB-323/11462468
-
- Inchi： 1S/C12H10N4/c1-2-4-10(5-3-1)7-16-9-15-12-11(16)6-13-8-14-12/h1-6,8-9H,7H2
- InChI Key： KKUVNLTZHSEFQY-UHFFFAOYSA-N
- SMILES： N1(C=NC2C1=CN=CN=2)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 210.0907
- Monoisotopic Mass: 210.091
- 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: 1.6
- Topological Polar Surface Area: 43.6?2
Experimental Properties
- Density: 1.27
- Boiling Point: 410.8°C at 760 mmHg
- Flash Point: 202.3°C
- Refractive Index: 1.692
- PSA: 43.6
- LogP: 1.87460
7H-Purine,7-(phenylmethyl)- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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