Cas no 25787-03-5 (Benzenecarboximidamide,4,4'-[1,4-phenylenebis(iminocarbonylimino)]bis[N-methyl-, dihydrochloride (9CI))
![Benzenecarboximidamide,4,4'-[1,4-phenylenebis(iminocarbonylimino)]bis[N-methyl-, dihydrochloride (9CI) structure](https://ossimg.kuujia.com/scimg/26000/25787-03-5x500.png)
25787-03-5 structure
Product Name:Benzenecarboximidamide,4,4'-[1,4-phenylenebis(iminocarbonylimino)]bis[N-methyl-, dihydrochloride (9CI)
CAS No:25787-03-5
MF:C24H27ClN8O2
MW:494.976582765579
CID:285573
PubChem ID:54605842
Update Time:2025-04-19
Benzenecarboximidamide,4,4'-[1,4-phenylenebis(iminocarbonylimino)]bis[N-methyl-, dihydrochloride (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzenecarboximidamide,4,4'-[1,4-phenylenebis(iminocarbonylimino)]bis[N-methyl-, dihydrochloride (9CI)
- 1-[4-(N'-methylcarbamimidoyl)phenyl]-3-[4-[[4-(N'-methylcarbamimidoyl)phenyl]carbamoylamino]phenyl]urea,hydrochloride
- NSC64905
- 25787-03-5
- Benzenecarboximidamide,4'-[1,4-phenylenebis(iminocarbonylimino)]bis(N-methyl)-, dihydrochloride
- 4,4'-[1,4-Phenylenebis(carbamoylazanediyl)]bis(N'-methylbenzene-1-carboximidamide)--hydrogen chloride (1/1)
- NSC-64905
- Urea,1'-p-phenylenebis[3-[p-(methylamidino)phenyl]-, dihydrochloride
- DTXSID90714149
-
- Inchi： 1S/C24H26N8O2.ClH/c1-27-21(25)15-3-7-17(8-4-15)29-23(33)31-19-11-13-20(14-12-19)32-24(34)30-18-9-5-16(6-10-18)22(26)28-2;/h3-14H,1-2H3,(H2,25,27)(H2,26,28)(H2,29,31,33)(H2,30,32,34);1H
- InChI Key： BQYVFZUMBGCHLU-UHFFFAOYSA-N
- SMILES： Cl.O=C(NC1C=CC(/C(=N/C)/N)=CC=1)NC1C=CC(=CC=1)NC(NC1C=CC(/C(=N/C)/N)=CC=1)=O
Computed Properties
- Exact Mass: 458.21818
- Monoisotopic Mass: 494.1945498g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 35
- Rotatable Bond Count: 6
- Complexity: 669
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 159?2
Experimental Properties
- PSA: 169.42
Benzenecarboximidamide,4,4'-[1,4-phenylenebis(iminocarbonylimino)]bis[N-methyl-, dihydrochloride (9CI) Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Jason Wan Lab Chip, 2020,20, 4528-4538
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