Cas no 75749-92-7 (2-Butan-3,3,4,4,4-d5-ol)
2-Butan-3,3,4,4,4-d5-ol is a deuterated analog of 2-butanol, where five hydrogen atoms are replaced with deuterium (D) at the 3,3,4,4,4 positions. This isotopic labeling enhances its utility in mechanistic studies, kinetic isotope effect investigations, and NMR spectroscopy applications. The incorporation of deuterium reduces signal interference in proton NMR, improving spectral resolution for structural analysis. Its high isotopic purity and chemical stability make it suitable for use as a tracer in metabolic research and reaction pathway elucidation. The compound is particularly valuable in pharmaceutical and biochemical research, where precise tracking of molecular interactions is required.
2-Butan-3,3,4,4,4-d5-ol structure
Product Name:2-Butan-3,3,4,4,4-d5-ol
CAS No:75749-92-7
MF:C4H10O
MW:79.152410030365
CID:559759
PubChem ID:12253099
Update Time:2025-05-24
2-Butan-3,3,4,4,4-d5-ol Chemical and Physical Properties
Names and Identifiers
-
- 2-Butan-3,3,4,4,4-d5-ol(9CI)
- SEC-BUTANOL-3,3,4,4,4-D5
- SEC-BUTYL-3,3,4,4,4-D5 ALCOHOL
- 75749-92-7
- (+/-)-SEC-BUTYL-3,3,4,4,4-D5 ALCOHOL
- 2-Butan-3,3,4,4,4-d5-ol
- F90564
-
- Inchi： 1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3/i1D3,3D2
- InChI Key： BTANRVKWQNVYAZ-WNWXXORZSA-N
- SMILES： OC(C)C([2H])([2H])C([2H])([2H])[2H]
Computed Properties
- Exact Mass: 79.105
- Monoisotopic Mass: 79.105
- Isotope Atom Count: 5
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 5
- Rotatable Bond Count: 1
- Complexity: 19.6
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.6
- Topological Polar Surface Area: 20.2A^2
Experimental Properties
- PSA: 20.23000
- LogP: 0.77720
2-Butan-3,3,4,4,4-d5-ol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B689896-10mg |
2-Butan-3,3,4,4,4-d5-ol |
75749-92-7 | 10mg |
$ 92.00 | 2023-09-08 | ||
| TRC | B689896-50mg |
2-Butan-3,3,4,4,4-d5-ol |
75749-92-7 | 50mg |
$ 402.00 | 2023-09-08 | ||
| TRC | B689896-100mg |
2-Butan-3,3,4,4,4-d5-ol |
75749-92-7 | 100mg |
$ 587.00 | 2023-09-08 |
2-Butan-3,3,4,4,4-d5-ol Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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