Cas no 5469-18-1 ( )
structure
Product Name:
CAS No:5469-18-1
MF:C8H12N2O2
MW:168.193081855774
CID:942571
PubChem ID:231193
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- DTXSID60969982
- NSC26910
- 5469-18-1
- NSC-26910
- 2,5-diethoxypyrimidine
- SCHEMBL3819124
-
-
- Inchi： 1S/C8H12N2O2/c1-3-11-7-5-9-8(10-6-7)12-4-2/h5-6H,3-4H2,1-2H3
- InChI Key： VNVQWDLQYPWIQM-UHFFFAOYSA-N
- SMILES： O(CC)C1C=NC(=NC=1)OCC
Computed Properties
- Exact Mass: 168.08996
- Monoisotopic Mass: 168.09
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 114
- 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: 1.2
- Topological Polar Surface Area: 44.2?2
Experimental Properties
- Density: 1.071
- Boiling Point: 270.3°C at 760 mmHg
- Flash Point: 99.1°C
- Refractive Index: 1.486
- PSA: 44.24
Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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