Propanenitrile, 3,3'-[[2-[(2-cyanoethoxy)methyl]-2-ethyl-1,3-propanediyl]bis(oxy)]bis-
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Basic information
- CAS
53067-27-9- Standard SMILES
CCC(COCCC#N)(COCCC#N)COCCC#N- InChIKey
MVIGWYTVWUNJIO-UHFFFAOYSA-N- Molecular formula
- C15H23N3O3
- Average molar mass
- 293.36 g/mol
- Monoisotopic mass
- 293.1739416
Names & identifiers
- Preferred name
- Propanenitrile, 3,3'-[[2-[(2-cyanoethoxy)methyl]-2-ethyl-1,3-propanediyl]bis(oxy)]bis-
- IUPAC
- 3-[2,2-bis(2-cyanoethoxymethyl)butoxy]propanenitrile
- English name
- 3,3'-[[2-[(2-Cyanoethoxy)methyl]-2-ethyl-1,3-propanediyl]bis(oxy)]bis[propanenitrile]
- Molecular formula
- C15H23N3O3
- Molecular weight
- 293.36
Names & synonyms
Propanenitrile, 3,3'-((2-((2-cyanoethoxy)methyl)-2-ethyl-1,3-propanediyl)bis(oxy))bis-DTXSID4068826Propanenitrile, 3,3'-[[2-[(2-cyanoethoxy)methyl]-2-ethyl-1,3-propanediyl]bis(oxy)]bis-RefChem:869007DTXCID604134953067-27-93-{2,2-bis[(2-cyanoethoxy)methyl]butoxy}propanenitrileSCHEMBL29899666MVIGWYTVWUNJIO-UHFFFAOYSA-NDB-3147363,3'-[[2-[(2-Cyanoethoxy)methyl ]-2-ethyl-1,3-propanediyl ]bis(oxy)]bis[propanenitrile]3,3'-[[2-[(2-Cyanoethoxy)methyl]-2-ethyl-1,3-propanediyl]bis(oxy)]bis[propanenitrile]
Database identifiers
- CAS
53067-27-9- PubChem CID
- 104402
- DTXSID
DTXSID4068826- Nikkaji
- J429.206E
Properties
Computed structural propertiesFilling in
- XLogP
- -0.1
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 350
Physicochemical properties
- EPA Substance Registry System
- 3 · Propanenitrile, 3,3'-[[2-[(2-cyanoethoxy)methyl]-2-ethyl-1,3-propanediyl]bis(oxy)]bis- (53067-27-9)
- 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
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Related reactions
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Compound notes
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