Cas no 120356-09-4 (2-{[2-(acetylamino)-9H-purin-9-yl]methoxy}ethyl acetate)
![2-{[2-(acetylamino)-9H-purin-9-yl]methoxy}ethyl acetate structure](https://ossimg.kuujia.com/scimg/120500/120356-09-4x500.png)
120356-09-4 structure
Product Name:2-{[2-(acetylamino)-9H-purin-9-yl]methoxy}ethyl acetate
CAS No:120356-09-4
MF:C12H15N5O4
MW:293.278601884842
CID:1210363
PubChem ID:9994518
Update Time:2025-04-20
2-{[2-(acetylamino)-9H-purin-9-yl]methoxy}ethyl acetate Chemical and Physical Properties
Names and Identifiers
-
- 2-{[2-(acetylamino)-9H-purin-9-yl]methoxy}ethyl acetate
- 2-[(2-Acetamido-9H-purin-9-yl)methoxy]ethyl acetate
- acetamide, N-[9-[[2-(acetyloxy)ethoxy]methyl]-9H-purin-2-yl]-
- 9-[(2-acetoxyethoxy)methyl]-2-acetylamino-9H-purine
- SCHEMBL9371648
- DTXSID80872207
- 120356-09-4
-
- Inchi： 1S/C12H15N5O4/c1-8(18)15-12-13-5-10-11(16-12)17(6-14-10)7-20-3-4-21-9(2)19/h5-6H,3-4,7H2,1-2H3,(H,13,15,16,18)
- InChI Key： NZSQZKSAMAZAEC-UHFFFAOYSA-N
- SMILES： O(CCOC(C)=O)CN1C=NC2=CN=C(NC(C)=O)N=C12
Computed Properties
- Exact Mass: 293.11255
- Monoisotopic Mass: 293.11240398g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 21
- Rotatable Bond Count: 7
- Complexity: 381
- 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: -0.6
- Topological Polar Surface Area: 108?2
Experimental Properties
- PSA: 108.23
2-{[2-(acetylamino)-9H-purin-9-yl]methoxy}ethyl acetate Related Literature
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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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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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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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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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