Basic information
- CAS
235093-03-5- Standard SMILES
C1CNOCCCONCCCNOCCCONC1- InChIKey
CIUIUEVECAVHDL-UHFFFAOYSA-N- Molecular formula
- C12H28N4O4
- Average molar mass
- 292.38 g/mol
- Monoisotopic mass
- 292.21105539
Names & identifiers
- Preferred name
- 1,7,11,17-Tetraoxa-2,6,12,16-tetraazacycloicosane
- IUPAC
- 1,7,11,17-tetraoxa-2,6,12,16-tetrazacycloicosane
- English name
- 1,6,10,15-Tetraoxa-2,5,11,14-tetraazacyclooctodecane, 1,7,11,17-Tetraoxa-2,6,12,16-tetraazacycloeicosane
- Molecular formula
- C12H28N4O4
- Molecular weight
- 292.38
Names & synonyms
235093-03-51,7,11,17-Tetraoxa-2,6,12,16-tetraazacycloicosaneDTXSID50327956RefChem:221646DTXCID50279067NCI60_038034CHEMBL2007731SCHEMBL301094211,7,11,17-tetraoxa-2,6,12,16-tetraaza-cycloeicosaneNitrate Ionophore III1,7,11,17-Tetraoxa-2,6,12,16-tetraazacycloeicosane1,6,10,15-Tetraoxa-2,5,11,14-tetraazacyclooctodecane, 1,7,11,17-Tetraoxa-2,6,12,16-tetraazacycloeicosane
Database identifiers
- CAS
235093-03-5- PubChem CID
- 397948
- DTXSID
DTXSID50327956- ChEMBL
CHEMBL2007731- Nikkaji
- J1.157.587K
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- storage temp.
- 20 °C · −20°C
Chemistry & industry
Suppliers2 total
SIGMA—
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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