Cas no 55553-54-3 (9H-Purin-6-amine,N-(1-phenylethyl)-)
55553-54-3 structure
Product Name:9H-Purin-6-amine,N-(1-phenylethyl)-
CAS No:55553-54-3
MF:C13H13N5
MW:239.275821447372
CID:373249
PubChem ID:124293
Update Time:2025-04-19
9H-Purin-6-amine,N-(1-phenylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 9H-Purin-6-amine,N-(1-phenylethyl)-
- alpha-(N6-adenyl)styrene oxide
- N-(1-phenylethyl)-7H-purin-6-amine
- N-(1-Phenylethyl)-9H-purin-6-amine
- Z56935828
- 1-phenylethyl(7H-purin-6-yl)amine
- F0578-0063
- SCHEMBL2623141
- DTXSID00874405
- (R)-alpha-(N(6)-Adenyl)styrene oxide
- ADENINE,6N-(1-PHENYLETHYL)
- CL-16625
- SR-01000007303
- 6-Phenylethylaminopurine
- 1H-Purin-6-amine, N-(1-phenylethyl)-
- CHEMBL1367143
- SMR000017460
- AKOS005853545
- AKOS016332226
- N-(1-Phenylethyl)-1H-purin-6-amine
- 6-(a-methylbenzylamino)purine
- cid_124293
- NCGC00168501-01
- IFLab1_002363
- alpha-N6-Ad-SO
- HMS2249C11
- 55553-54-3
- regid7969507
- MLS000101215
- NCGC00081764-02
- Oprea1_551360
- AB00433751-04
- HMS1418L09
- SR-01000007303-1
- SCHEMBL17933810
- BDBM38842
- AKOS001063562
-
- Inchi： 1S/C13H13N5/c1-9(10-5-3-2-4-6-10)18-13-11-12(15-7-14-11)16-8-17-13/h2-9H,1H3,(H2,14,15,16,17,18)
- InChI Key： OPBOKLRORBKBAN-UHFFFAOYSA-N
- SMILES： N(C1=C2C(=NC=N1)N=CN2)C(C)C1C=CC=CC=1
Computed Properties
- Exact Mass: 239.11729
- Monoisotopic Mass: 239.117
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 266
- 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: 2.3
- Topological Polar Surface Area: 66.5?2
Experimental Properties
- Density: 1.337
- Boiling Point: 512.7°C at 760 mmHg
- Flash Point: 263.9°C
- Refractive Index: 1.731
- PSA: 66.49
9H-Purin-6-amine,N-(1-phenylethyl)- Related Literature
-
Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
55553-54-3 (9H-Purin-6-amine,N-(1-phenylethyl)-) Related Products
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