Cas no 72649-87-7 (1H-Imidazole,4,5-dihydro-2-[(2,3,5,6-tetramethylphenyl)methyl]-, hydrochloride (1:1))
![1H-Imidazole,4,5-dihydro-2-[(2,3,5,6-tetramethylphenyl)methyl]-, hydrochloride (1:1) structure](https://ossimg.kuujia.com/scimg/73000/72649-87-7x500.png)
72649-87-7 structure
Product Name:1H-Imidazole,4,5-dihydro-2-[(2,3,5,6-tetramethylphenyl)methyl]-, hydrochloride (1:1)
CAS No:72649-87-7
MF:C14H21ClN2
MW:252.782942533493
CID:566088
PubChem ID:3055610
Update Time:2025-04-19
1H-Imidazole,4,5-dihydro-2-[(2,3,5,6-tetramethylphenyl)methyl]-, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole,4,5-dihydro-2-[(2,3,5,6-tetramethylphenyl)methyl]-, hydrochloride (1:1)
- 2-[(2,3,5,6-tetramethylphenyl)methyl]-4,5-dihydro-1H-imidazole hydroch loride
- 1H-Imidazole, 4,5-dihydro-2-((2,3,5,6-tetramethylphenyl)methyl)-, monohydrochloride
- 2-(2,3,5,6-Tetrametilbenzil)imidazolina HCl [Italian]
- DTXSID60222963
- 72649-87-7
- 2-(2,3,5,6-Tetrametilbenzil)imidazolina HCl
-
- Inchi： 1S/C14H20N2.ClH/c1-9-7-10(2)12(4)13(11(9)3)8-14-15-5-6-16-14;/h7H,5-6,8H2,1-4H3,(H,15,16);1H
- InChI Key： QPVJHMJCDNRCFC-UHFFFAOYSA-N
- SMILES： Cl.N1CCN=C1CC1C(C)=C(C)C=C(C)C=1C
Computed Properties
- Exact Mass: 252.13953
- Monoisotopic Mass: 252.139
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 258
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 24.4?2
Experimental Properties
- Boiling Point: 400.9°C at 760 mmHg
- Flash Point: 196.3°C
- PSA: 24.39
1H-Imidazole,4,5-dihydro-2-[(2,3,5,6-tetramethylphenyl)methyl]-, hydrochloride (1:1) Related Literature
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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