Cas no 98609-38-2 (2(1H)-Pyrimidinone,6-[(hydroxymethyl)amino]-)
![2(1H)-Pyrimidinone,6-[(hydroxymethyl)amino]- structure](https://ossimg.kuujia.com/scimg/99000/98609-38-2x500.png)
98609-38-2 structure
Product Name:2(1H)-Pyrimidinone,6-[(hydroxymethyl)amino]-
CAS No:98609-38-2
MF:C5H7N3O2
MW:141.127980470657
CID:801965
Update Time:2024-02-01
2(1H)-Pyrimidinone,6-[(hydroxymethyl)amino]- Chemical and Physical Properties
Names and Identifiers
-
- 2(1H)-Pyrimidinone,6-[(hydroxymethyl)amino]-
- 2(1H)-Pyrimidinone, 4-[(hydroxymethyl)amino]- (9CI)
- 6-(hydroxymethylamino)-1H-pyrimidin-2-one
-
- Inchi： 1S/C5H7N3O2/c9-3-7-4-1-2-6-5(10)8-4/h1-2,9H,3H2,(H2,6,7,8,10)
- InChI Key： FTNHTYFMIOWXSI-UHFFFAOYSA-N
- SMILES： C1(=O)NC=CC(NCO)=N1
Computed Properties
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 172
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: -3.7
2(1H)-Pyrimidinone,6-[(hydroxymethyl)amino]- Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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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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