3,6,9,12,15-Pentaoxa-21-azabicyclo[15.3.1]henicosa-1(21),17,19-triene-2,16-dione
Basic information
- CAS
64379-58-4- Standard SMILES
O=C1OCCOCCOCCOCCOC(=O)c2cccc1n2- InChIKey
KXFRDWHDUWAFOL-UHFFFAOYSA-N- Molecular formula
- C15H19NO7
- Average molar mass
- 325.31 g/mol
- Monoisotopic mass
- 325.11615195
Names & identifiers
- Preferred name
- 3,6,9,12,15-Pentaoxa-21-azabicyclo[15.3.1]henicosa-1(21),17,19-triene-2,16-dione
- IUPAC
- 3,6,9,12,15-pentaoxa-21-azabicyclo[15.3.1]henicosa-1(21),17,19-triene-2,16-dione
Names & synonyms
64379-58-43,6,9,12,15-Pentaoxa-21-azabicyclo[15.3.1]henicosa-1(21),17,19-triene-2,16-dioneNSC2978423,6,9,12,15-Pentaoxa-21-azabicyclo[15.3.1]heneicosa-1(21),17,19-triene-2,16-dioneDTXSID90315837KXFRDWHDUWAFOL-UHFFFAOYSA-NAKOS024405865NSC-2978423,6,9,12,15-Pentaoxa-21-azabicyclo[15.3.1]henicosa-1(21),17,19-triene-2,16-dione #3,6,9,12,15-Pentaoxa-21-N-bicyclo[15.3.1]heneicosa-1(21),17,19-triene-2,16-dione3,6,9,12,15-pentaoxa-21-azabicyclo[15.3.1]henicosa-1(20),17(21),18-triene-2,16-dione
Database identifiers
- CAS
64379-58-4- PubChem CID
- 326421
- DTXSID
DTXSID90315837- EC Number
- 123-341-8
- Nikkaji
- J550.829K
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 93.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 345
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
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Related reactions
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Compound notes
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