Cas no 78892-81-6 (1H-Imidazole,5-[(2,4,6-trimethylphenyl)methyl]-, hydrochloride (1:1))
![1H-Imidazole,5-[(2,4,6-trimethylphenyl)methyl]-, hydrochloride (1:1) structure](https://ossimg.kuujia.com/scimg/79000/78892-81-6x500.png)
78892-81-6 structure
Product Name:1H-Imidazole,5-[(2,4,6-trimethylphenyl)methyl]-, hydrochloride (1:1)
CAS No:78892-81-6
MF:C13H17ClN2
MW:236.740482091904
CID:573232
PubChem ID:3061236
Update Time:2025-04-19
1H-Imidazole,5-[(2,4,6-trimethylphenyl)methyl]-, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole,5-[(2,4,6-trimethylphenyl)methyl]-, hydrochloride (1:1)
- 4-(2,4,6-TRIMETHYL-BENZYL)-1H-IMIDAZOLE
- 5-[(2,4,6-trimethylphenyl)methyl]-1H-imidazole
- 1H-Imidazole,4-[(2,4,6-trimethylphenyl)methyl]-, monohydrochloride (9CI)
- AC1MI1B0
- AG-H-16301
- CTK5E6200
- 1H-Imidazole, 4-((2,4,6-trimethylphenyl)methyl)-, monohydrochloride
- 4-((2,4,6-Trimethylphenyl)methyl)-1H-imidazole hydrochloride
- 4-(2',4',6'-Trimethylbenzyl)imidazole hydrochloride
- 78892-81-6
- DTXSID201000122
- 5-[(2,4,6-Trimethylphenyl)methyl]-1H-imidazole--hydrogen chloride (1/1)
-
- Inchi： 1S/C13H16N2.ClH/c1-9-4-10(2)13(11(3)5-9)6-12-7-14-8-15-12;/h4-5,7-8H,6H2,1-3H3,(H,14,15);1H
- InChI Key： DWPMKGVBSHGPDL-UHFFFAOYSA-N
- SMILES： Cl.N1C=NC=C1CC1C(C)=CC(C)=CC=1C
Computed Properties
- Exact Mass: 200.13100
- Monoisotopic Mass: 236.108
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 193
- 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: 28.7?2
Experimental Properties
- Boiling Point: 395.1°C at 760 mmHg
- Flash Point: 202.1°C
- PSA: 28.68000
- LogP: 2.92570
1H-Imidazole,5-[(2,4,6-trimethylphenyl)methyl]-, hydrochloride (1:1) Related Literature
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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