Cas no 537-51-9 ( )
structure
Product Name:
Chemical and Physical Properties
Names and Identifiers
-
- 1,4-DIAMIDINOBENZENE
- 1-N',4-N'-bis[4-(N'-methylcarbamimidoyl)phenyl]benzene-1,4-dicarboximidamide
- CHEMBL1939329
- DTXSID00201959
- NCI60_004399
- 1,4-BENZENEDICARBOXIMIDAMIDE, N1,N4-BIS(4-(IMINO(METHYLAMINO)METHYL)PHENYL)-
- Q27265841
- UNII-7071M27DUH
- N',N'''-Bis(p-(methylamidino)phenyl)terephthalamidine
- 7071M27DUH
- 537-51-9
-
-
- Inchi： 1S/C24H26N8/c1-29-21(25)15-7-11-19(12-8-15)31-23(27)17-3-5-18(6-4-17)24(28)32-20-13-9-16(10-14-20)22(26)30-2/h3-14H,1-2H3,(H2,25,29)(H2,26,30)(H2,27,31)(H2,28,32)
- InChI Key： VQQQRERMPYGZGF-UHFFFAOYSA-N
- SMILES： N(/C1C=CC(/C(=N/C)/N)=CC=1)=C(\C1C=CC(/C(/N)=N/C2C=CC(/C(=N/C)/N)=CC=2)=CC=1)/N
Computed Properties
- Exact Mass: 426.22804286g/mol
- Monoisotopic Mass: 426.22804286g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 32
- Rotatable Bond Count: 6
- Complexity: 654
- 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: 1.5
- Topological Polar Surface Area: 154?2
Related Literature
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
-
Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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