Cas no 42927-06-0 (1,2,3,4-Butanetetrol,1,4-bis(1H-benzimidazol-2-yl)-, [1R-(1R*,2R*,3R*,4R*)]-, dihydrochloride (9CI))
![1,2,3,4-Butanetetrol,1,4-bis(1H-benzimidazol-2-yl)-, [1R-(1R*,2R*,3R*,4R*)]-, dihydrochloride (9CI) structure](https://ossimg.kuujia.com/scimg/43000/42927-06-0x500.png)
42927-06-0 structure
Product Name:1,2,3,4-Butanetetrol,1,4-bis(1H-benzimidazol-2-yl)-, [1R-(1R*,2R*,3R*,4R*)]-, dihydrochloride (9CI)
CAS No:42927-06-0
MF:C18H19ClN4O4
MW:390.820863008499
CID:334489
PubChem ID:24180827
Update Time:2025-04-19
1,2,3,4-Butanetetrol,1,4-bis(1H-benzimidazol-2-yl)-, [1R-(1R*,2R*,3R*,4R*)]-, dihydrochloride (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,2,3,4-Butanetetrol,1,4-bis(1H-benzimidazol-2-yl)-, [1R-(1R*,2R*,3R*,4R*)]-, dihydrochloride (9CI)
- 1,4-bis(1H-benzimidazol-2-yl)butane-1,2,3,4-tetrol,hydrochloride
- NSC86172
- NSC-86172
- 1,2,3,4-BUTANETETROL, DIHYDROCHLORIDE
- 1,4-Bis(1H-benzimidazol-2-yl)butane-1,2,3,4-tetrol--hydrogen chloride (1/1)
- 5345-84-6
- 42927-06-0
- NSC-1752
- NSC1752
- DTXSID40962799
-
- Inchi： 1S/C18H18N4O4.ClH/c23-13(15(25)17-19-9-5-1-2-6-10(9)20-17)14(24)16(26)18-21-11-7-3-4-8-12(11)22-18;/h1-8,13-16,23-26H,(H,19,20)(H,21,22);1H
- InChI Key： NALFUMZZUJTWIQ-UHFFFAOYSA-N
- SMILES： Cl.OC(C(C1=NC2C=CC=CC=2N1)O)C(C(C1=NC2C=CC=CC=2N1)O)O
Computed Properties
- Exact Mass: 390.10900
- Monoisotopic Mass: 354.133
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 26
- Rotatable Bond Count: 5
- Complexity: 442
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 138?2
Experimental Properties
- Density: 1.613
- Boiling Point: 868.1°Cat760mmHg
- Flash Point: 478.8°C
- Refractive Index: 1.829
- PSA: 138.28000
- LogP: 1.73000
1,2,3,4-Butanetetrol,1,4-bis(1H-benzimidazol-2-yl)-, [1R-(1R*,2R*,3R*,4R*)]-, 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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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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