Cas no 10605-55-7 (1,3-Benzenedicarboximidamide,N1,N3-bis[4-[(ethylamino)iminomethyl]phenyl]-, hydrochloride (1:4))
![1,3-Benzenedicarboximidamide,N1,N3-bis[4-[(ethylamino)iminomethyl]phenyl]-, hydrochloride (1:4) structure](https://ossimg.kuujia.com/scimg/11000/10605-55-7x500.png)
10605-55-7 structure
Product Name:1,3-Benzenedicarboximidamide,N1,N3-bis[4-[(ethylamino)iminomethyl]phenyl]-, hydrochloride (1:4)
CAS No:10605-55-7
MF:C26H31ClN8
MW:491.030943155289
CID:213714
PubChem ID:54603303
Update Time:2025-04-19
1,3-Benzenedicarboximidamide,N1,N3-bis[4-[(ethylamino)iminomethyl]phenyl]-, hydrochloride (1:4) Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarboximidamide,N1,N3-bis[4-[(ethylamino)iminomethyl]phenyl]-, hydrochloride (1:4)
- 1-N',3-N'-bis[4-(N'-ethylcarbamimidoyl)phenyl]benzene-1,3-dicarboximidamide,hydrochloride
- NSC66778
- NSC-66778
- 10605-55-7
- N'~1~,N'~3~-Bis[4-(N'-ethylcarbamimidoyl)phenyl]benzene-1,3-dicarboximidamide--hydrogen chloride (1/1)
- DTXSID40713586
-
- Inchi： 1S/C26H30N8.ClH/c1-3-31-23(27)17-8-12-21(13-9-17)33-25(29)19-6-5-7-20(16-19)26(30)34-22-14-10-18(11-15-22)24(28)32-4-2;/h5-16H,3-4H2,1-2H3,(H2,27,31)(H2,28,32)(H2,29,33)(H2,30,34);1H
- InChI Key： KFBJPUXZQQRAQM-UHFFFAOYSA-N
- SMILES： Cl.N(/C1C=CC(/C(/N)=N/CC)=CC=1)=C(\C1C=CC=C(/C(/N)=N/C2C=CC(/C(/N)=N/CC)=CC=2)C=1)/N
Computed Properties
- Exact Mass: 454.2597
- Monoisotopic Mass: 490.236
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 35
- Rotatable Bond Count: 8
- Complexity: 693
- 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: 154A^2
Experimental Properties
- Density: 1.23
- Boiling Point: 715.7°Cat760mmHg
- Flash Point: 386.6°C
- Refractive Index: 1.646
- PSA: 153.52
- LogP: 6.56000
1,3-Benzenedicarboximidamide,N1,N3-bis[4-[(ethylamino)iminomethyl]phenyl]-, hydrochloride (1:4) Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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