Cas no 103355-79-9 (Cyanamide,(4,6-diethoxy-2-pyrimidinyl)- (9CI))
103355-79-9 structure
Product Name:Cyanamide,(4,6-diethoxy-2-pyrimidinyl)- (9CI)
CAS No:103355-79-9
MF:C9H12N4O2
MW:208.21718120575
CID:125615
PubChem ID:13608523
Update Time:2025-04-18
Cyanamide,(4,6-diethoxy-2-pyrimidinyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Cyanamide,(4,6-diethoxy-2-pyrimidinyl)- (9CI)
- Cyanamide, (4,6-diethoxy-2-pyrimidinyl)-
- 103355-79-9
- (4,6-diethoxypyrimidin-2-yl)cyanamide
- Cyanamide,(4,6-diethoxy-2-pyrimidinyl)-(9ci)
- Cyanamide, (4,6-diethoxy-2-pyrimidinyl)- (9CI)
-
- Inchi： 1S/C9H12N4O2/c1-3-14-7-5-8(15-4-2)13-9(12-7)11-6-10/h5H,3-4H2,1-2H3,(H,11,12,13)
- InChI Key： BFYLLLAPVIHDMH-UHFFFAOYSA-N
- SMILES： O(CC)C1C=C(N=C(NC#N)N=1)OCC
Computed Properties
- Exact Mass: 208.09616
- Monoisotopic Mass: 208.09602564g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 213
- 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: 1.9
- Topological Polar Surface Area: 80.1?2
Experimental Properties
- PSA: 80.06
Cyanamide,(4,6-diethoxy-2-pyrimidinyl)- (9CI) Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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