Cas no 2294957-13-2 (3-(methyl-d3)-1H-pyrazole-4,5-d2)
2294957-13-2 structure
Product Name:3-(methyl-d3)-1H-pyrazole-4,5-d2
CAS No:2294957-13-2
MF:C4H6N2
MW:87.1346487998962
CID:6824218
PubChem ID:172405903
Update Time:2025-03-01
3-(methyl-d3)-1H-pyrazole-4,5-d2 Chemical and Physical Properties
Names and Identifiers
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- CS-22285
- 2294957-13-2
- 3-(methyl-d3)-1H-pyrazole-4,5-d2
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- Inchi： 1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)/i1D3,2D,3D
- InChI Key： XKVUYEYANWFIJX-RHIBPKLGSA-N
- SMILES： N1C([2H])=C([2H])C(C([2H])([2H])[2H])=N1
Computed Properties
- Exact Mass: 87.084481930Da
- Monoisotopic Mass: 87.084481930Da
- Isotope Atom Count: 5
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 6
- Rotatable Bond Count: 0
- Complexity: 44.8
- 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: 0.6
- Topological Polar Surface Area: 28.7?2
3-(methyl-d3)-1H-pyrazole-4,5-d2 Related Literature
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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
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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