Propanenitrile, 3-((1,1-dimethyl-2-propyn-1-yl)oxy)-
Basic information
- CAS
15496-08-9- Standard SMILES
C#CC(C)(C)OCCC#N- InChIKey
BRMRUCOZUIVFCW-UHFFFAOYSA-N- Molecular formula
- C8H11NO
- Average molar mass
- 137.18 g/mol
- Monoisotopic mass
- 137.08406397
Names & identifiers
- Preferred name
- Propanenitrile, 3-((1,1-dimethyl-2-propyn-1-yl)oxy)-
- IUPAC
- 3-(2-methylbut-3-yn-2-yloxy)propanenitrile
- English name
- 3-(2-methylbut-3-yn-2-yloxy)propanenitrile
- Molecular formula
- C8H11NO
- Molecular weight
- 137.18
Names & synonyms
3-Methyl-3-(2-cyanoethoxy)-1-butynePropanenitrile, 3-((1,1-dimethyl-2-propynyl)oxy)-Propanenitrile, 3-[(1,1-dimethyl-2-propynyl)oxy]-Propanenitrile, 3-((1,1-dimethyl-2-propyn-1-yl)oxy)-Propanenitrile, 3-[(1,1-dimethyl-2-propyn-1-yl)oxy]-RefChem:86900815496-08-93-(2-methylbut-3-yn-2-yloxy)propanenitrile3-[(2-methylbut-3-yn-2-yl)oxy]propanenitrileDTXSID8065901SCHEMBL20364816BRMRUCOZUIVFCW-UHFFFAOYSA-N
Show more names
3-[(1,1-Dimethyl-2-propynyl)oxy]propionitrile
3-(2-methylbut-3-yn-2-yloxy)-propionitrile
Database identifiers
- CAS
15496-08-9- PubChem CID
- 84946
- DTXSID
DTXSID8065901- Nikkaji
- J421.945G
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Boiling point
- 103 · 103-105 °C(Press: 26 Torr)
- Density
- 0.9275 g/cm3 · 0.9275 g/cm3
- EPA Substance Registry System
- 3 · Propanenitrile, 3-[(1,1-dimethyl-2-propynyl)oxy]- (15496-08-9)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanenitrile, 3-[(1,1-dimethyl-2-propyn-1-yl)oxy]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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