1,4,7,10,13,16-Hexaoxacyclooctadecane, compd. with acetonitrile (1:2)
Basic information
- CAS
55075-35-9- Standard SMILES
C1COCCOCCOCCOCCOCCO1.CC#N.CC#N- InChIKey
XFFHJHRKTCXIFN-UHFFFAOYSA-N- Molecular formula
- C16H30N2O6
- Average molar mass
- 346.42 g/mol
- Monoisotopic mass
- 346.21038668
Names & identifiers
- Preferred name
- 1,4,7,10,13,16-Hexaoxacyclooctadecane, compd. with acetonitrile (1:2)
- IUPAC
- bis(acetonitrile);1,4,7,10,13,16-hexaoxacyclooctadecane
- English name
- 18-Crown-6 acetonitrile complex
- Molecular formula
- C12H24O6.2C2H3N
- Molecular weight
- 346.421
Names & synonyms
55075-35-9DTXSID0068999RefChem:72995DTXCID2041834Acetonitrile--1,4,7,10,13,16-hexaoxacyclooctadecane (2/1)18-crown-6*acetonitrile (1:2)18-Crown-6 acetonitrile complex18-crown-6etheracetonitrilecomplex1,4,7,10,13,16-Hexaoxacyclooctadecane, compd. with acetonitrile (1:2)
Database identifiers
- CAS
55075-35-9- PubChem CID
- 108672
- DTXSID
DTXSID0068999
Properties
Computed structural properties
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 137
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,4,7,10,13,16-Hexaoxacyclooctadecane, compd. with acetonitrile (1:2) (55075-35-9)
- 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 Information1,4,7,10,13,16-Hexaoxacyclooctadecane, compd. with acetonitrile (1:2): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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