Cas no 52726-25-7 (1H-Imidazole,5-methyl-1-[(4-nitrophenyl)methyl]-, hydrochloride (1:1))
![1H-Imidazole,5-methyl-1-[(4-nitrophenyl)methyl]-, hydrochloride (1:1) structure](https://ossimg.kuujia.com/scimg/53000/52726-25-7x500.png)
52726-25-7 structure
Product Name:1H-Imidazole,5-methyl-1-[(4-nitrophenyl)methyl]-, hydrochloride (1:1)
CAS No:52726-25-7
MF:C11H12ClN3O2
MW:253.684881210327
CID:386172
PubChem ID:24195724
Update Time:2025-04-19
1H-Imidazole,5-methyl-1-[(4-nitrophenyl)methyl]-, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole,5-methyl-1-[(4-nitrophenyl)methyl]-, hydrochloride (1:1)
- 5-methyl-1-[(4-nitrophenyl)methyl]imidazole,hydrochloride
- NSC195972
- NSC-195972
- DTXSID30638714
- 5-Methyl-1-[(4-nitrophenyl)methyl]-1H-imidazole--hydrogen chloride (1/1)
- 52726-25-7
-
- Inchi： 1S/C11H11N3O2.ClH/c1-9-6-12-8-13(9)7-10-2-4-11(5-3-10)14(15)16;/h2-6,8H,7H2,1H3;1H
- InChI Key： TXZSTBPAGSDDKM-UHFFFAOYSA-N
- SMILES： Cl.[O-][N+](C1C=CC(=CC=1)CN1C=NC=C1C)=O
Computed Properties
- Exact Mass: 217.08523
- Monoisotopic Mass: 253.062
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 246
- 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: 63.6A^2
Experimental Properties
- Density: 1.25
- Boiling Point: 428.6°C at 760 mmHg
- Flash Point: 213°C
- Refractive Index: 1.619
- PSA: 60.96
- LogP: 3.47320
1H-Imidazole,5-methyl-1-[(4-nitrophenyl)methyl]-, hydrochloride (1:1) 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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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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N. Soin,D. Boyer,K. Prashanthi,S. Sharma,A. A. Narasimulu,J. Luo,T. H. Shah,E. Siores,T. Thundat Chem. Commun., 2015,51, 8257-8260
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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