Cas no 727651-52-7 (2,4-Pyrimidinediamine,6-ethynyl-)
727651-52-7 structure
Product Name:2,4-Pyrimidinediamine,6-ethynyl-
CAS No:727651-52-7
MF:C6H6N4
MW:134.13863992691
CID:559015
PubChem ID:11309533
Update Time:2025-04-19
2,4-Pyrimidinediamine,6-ethynyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Pyrimidinediamine,6-ethynyl-
- 2,4-Pyrimidinediamine, 6-ethynyl- (9CI)
- 2,4-Pyrimidinediamine,6-ethynyl-(9ci)
- AKOS006352634
- 727651-52-7
-
- Inchi： 1S/C6H6N4/c1-2-4-3-5(7)10-6(8)9-4/h1,3H,(H4,7,8,9,10)
- InChI Key： XIAQFFZTZBUSDT-UHFFFAOYSA-N
- SMILES： N1C(N)=NC(C#C)=CC=1N
Computed Properties
- Exact Mass: 134.059246208g/mol
- Monoisotopic Mass: 134.059246208g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 158
- 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: -0.2
- Topological Polar Surface Area: 77.8?2
2,4-Pyrimidinediamine,6-ethynyl- Related Literature
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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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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
727651-52-7 (2,4-Pyrimidinediamine,6-ethynyl-) Related Products
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