Cas no 37789-59-6 ( )
structure
Product Name:
CAS No:37789-59-6
MF:C8H13N5O2
MW:211.221120595932
CID:922626
PubChem ID:318045
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 2-N,2-N,4-N,6-tetramethyl-5-nitropyrimidine-2,4-diamine
- DTXSID20312298
- 37789-59-6
- NSC-252071
- DS-011694
- N2,N4,6-TETRAMETHYL-5-NITRO-2,4-PYRIMIDINEDIAMINE
- NSC252071
- N,n,n,6-tetramethyl-5-nitro-pyrimidine-2,4-diamine
-
-
- Inchi： 1S/C8H13N5O2/c1-5-6(13(14)15)7(9-2)11-8(10-5)12(3)4/h1-4H3,(H,9,10,11)
- InChI Key： DOVRDOKBEGKCHZ-UHFFFAOYSA-N
- SMILES： [O-][N+](C1=C(NC)N=C(N=C1C)N(C)C)=O
Computed Properties
- Exact Mass: 211.10709
- Monoisotopic Mass: 211.10692467g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 230
- 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: 1.8
- Topological Polar Surface Area: 86.9?2
Experimental Properties
- PSA: 84.19
Related Literature
-
Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
-
Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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