Cas no 64678-68-8 (1H-Imidazole,2-methyl-1-(methyl-d3)- (9CI))
64678-68-8 structure
Product Name:1H-Imidazole,2-methyl-1-(methyl-d3)- (9CI)
CAS No:64678-68-8
MF:C5H8N2
MW:99.1489057540894
CID:501127
PubChem ID:102602323
Update Time:2025-04-19
1H-Imidazole,2-methyl-1-(methyl-d3)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- 1H-Imidazole,2-methyl-1-(methyl-d3)- (9CI)
- 1,2-DIMETHYL-D3-IMIDAZOLE (1-METHYL-D3)
- 64678-68-8
- 1,2-Dimethyl-d3-imidazole(1-methyl-d3)
-
- Inchi： 1S/C5H8N2/c1-5-6-3-4-7(5)2/h3-4H,1-2H3/i2D3
- InChI Key： GIWQSPITLQVMSG-BMSJAHLVSA-N
- SMILES： N1(C([2H])([2H])[2H])C=CN=C1C
Computed Properties
- Exact Mass: 99.088
- Monoisotopic Mass: 99.088
- Isotope Atom Count: 3
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 7
- Rotatable Bond Count: 0
- Complexity: 63.1
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 17.8A^2
- XLogP3: 0.4
1H-Imidazole,2-methyl-1-(methyl-d3)- (9CI) Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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