Cas no 2645418-79-5 (1H-pyrazol-4,5-d2-3-amine)
1H-pyrazol-4,5-d2-3-amine structure
Product Name:1H-pyrazol-4,5-d2-3-amine
CAS No:2645418-79-5
MF:C3H5N3
MW:85.1042230129242
CID:6826104
PubChem ID:172404064
Update Time:2025-02-26
1H-pyrazol-4,5-d2-3-amine Chemical and Physical Properties
Names and Identifiers
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- 1H-pyrazol-4,5-d2-3-amine
- CS-24266
- 2645418-79-5
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- Inchi： 1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)/i1D,2D
- InChI Key： JVVRJMXHNUAPHW-QDNHWIQGSA-N
- SMILES： N1C([2H])=C([2H])C(N)=N1
Computed Properties
- Exact Mass: 85.060900664Da
- Monoisotopic Mass: 85.060900664Da
- Isotope Atom Count: 2
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 6
- Rotatable Bond Count: 0
- Complexity: 45.3
- 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: -0.1
- Topological Polar Surface Area: 54.7?2
1H-pyrazol-4,5-d2-3-amine Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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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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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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