Cas no 4131-69-5 (Butanenitrile, 2-hydroxy-2,3,3-trimethyl-)
4131-69-5 structure
Product Name:Butanenitrile, 2-hydroxy-2,3,3-trimethyl-
CAS No:4131-69-5
MF:C7H13NO
MW:127.184221982956
CID:1513061
Update Time:2024-08-23
Butanenitrile, 2-hydroxy-2,3,3-trimethyl- Chemical and Physical Properties
Names and Identifiers
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- Butanenitrile, 2-hydroxy-2,3,3-trimethyl-
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- Inchi： 1S/C7H13NO/c1-6(2,3)7(4,9)5-8/h9H,1-4H3
- InChI Key： PHRSLUPJKDVWPF-UHFFFAOYSA-N
- SMILES： C(#N)C(O)(C)C(C)(C)C
Computed Properties
- Exact Mass: 127.09979
Experimental Properties
- Density: 0.941±0.06 g/cm3(Predicted)
- Melting Point: 103-104 °C
- Boiling Point: 216.3±13.0 °C(Predicted)
- PSA: 44.02
- pka: 11.45±0.29(Predicted)
Butanenitrile, 2-hydroxy-2,3,3-trimethyl- Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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