Cas no 2363787-46-4 (bis(1H-imidazol-1-yl-d3)methanone)
2363787-46-4 structure
Product Name:bis(1H-imidazol-1-yl-d3)methanone
CAS No:2363787-46-4
MF:C7H6N4O
MW:168.185710430145
CID:6824443
PubChem ID:172402726
Update Time:2025-03-01
bis(1H-imidazol-1-yl-d3)methanone Chemical and Physical Properties
Names and Identifiers
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- bis(1H-imidazol-1-yl-d3)methanone
- 2363787-46-4
- CS-22525
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- Inchi： 1S/C7H6N4O/c12-7(10-3-1-8-5-10)11-4-2-9-6-11/h1-6H/i1D,2D,3D,4D,5D,6D
- InChI Key： PFKFTWBEEFSNDU-MZWXYZOWSA-N
- SMILES： O=C(N1C([2H])=NC([2H])=C1[2H])N1C([2H])=NC([2H])=C1[2H]
Computed Properties
- Exact Mass: 168.09182130Da
- Monoisotopic Mass: 168.09182130Da
- Isotope Atom Count: 6
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 166
- 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
- XLogP3: -0.2
- Topological Polar Surface Area: 52.7?2
bis(1H-imidazol-1-yl-d3)methanone Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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