2-(2H3)Methyl(1,1,1-2H3)-3-butyn-2-ol
2-(2H3)Methyl(1,1,1-2H3)-3-butyn-2-ol structure
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Common Name | 2-(2H3)Methyl(1,1,1-2H3)-3-butyn-2-ol | ||
|---|---|---|---|---|
| CAS Number | 57444-27-6 | Molecular Weight | 90.153 | |
| Density | 0.9±0.1 g/cm3 | Boiling Point | 104.2±8.0 °C at 760 mmHg | |
| Molecular Formula | C5H2D6O | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 25.0±0.0 °C | |
| Name | 2-methyl-d3-3-butyn-1,1,1-d3-2-ol |
|---|---|
| Synonym | More Synonyms |
| Density | 0.9±0.1 g/cm3 |
|---|---|
| Boiling Point | 104.2±8.0 °C at 760 mmHg |
| Molecular Formula | C5H2D6O |
| Molecular Weight | 90.153 |
| Flash Point | 25.0±0.0 °C |
| Exact Mass | 90.095177 |
| PSA | 20.23000 |
| LogP | 0.32 |
| Vapour Pressure | 17.2±0.4 mmHg at 25°C |
| Index of Refraction | 1.444 |
| InChIKey | CEBKHWWANWSNTI-XERRXZQWSA-N |
| SMILES | C#CC(C)(C)O |
|
~%
2-(2H3)Methyl(1... CAS#:57444-27-6 |
| Literature: CONCERT PHARMACEUTICALS, INC.; HARBESON, Scott, L.; TUNG, Roger, D.; LIU, Julie, F. Patent: WO2011/11712 A1, 2011 ; Location in patent: Page/Page column 41-42 ; WO 2011/011712 A1 |
|
~42%
2-(2H3)Methyl(1... CAS#:57444-27-6 |
| Literature: Wadsworth, Alan H.; Lawrie, Kenneth W. M. Journal of Labelled Compounds and Radiopharmaceuticals, 2007 , vol. 50, # 5-6 p. 473 - 474 |
|
~%
2-(2H3)Methyl(1... CAS#:57444-27-6 |
| Literature: Pasto, Daniel J.; Warren, Steven E. Journal of Organic Chemistry, 1981 , vol. 46, # 14 p. 2842 - 2846 |
|
~56%
2-(2H3)Methyl(1... CAS#:57444-27-6 |
| Literature: Kolbe, Adelheid; Fuchs, Petra; Porzel, Andrea; Baumeister, Ute; Kolbe, Alfred; Adam, Guenter Journal of the Chemical Society. Perkin Transactions 1, 2002 , # 17 p. 2022 - 2027 |
|
~%
2-(2H3)Methyl(1... CAS#:57444-27-6 |
| Literature: Wadsworth, Alan H.; Lawrie, Kenneth W. M. Journal of Labelled Compounds and Radiopharmaceuticals, 2007 , vol. 50, # 5-6 p. 473 - 474 |
|
~%
2-(2H3)Methyl(1... CAS#:57444-27-6 |
| Literature: Stanjek, Volker; Miksch, Martin; Boland, Wilhelm Tetrahedron, 1997 , vol. 53, # 52 p. 17699 - 17710 |
| 3-Butyn-1,1,1-d-2-ol, 2-(methyl-d)- |
| 2-(H)Methyl(1,1,1-H)-3-butyn-2-ol |
| 2-(H)Methyl(1,1,1-H)but-3-yn-2-ol |
| 1,1,1-trideuterio-2-trideuteriomethyl-but-3-yn-2-ol |
| PT-4 |