Basic information
- CAS
51486-74-9- Standard SMILES
CCCC12COP(=O)(OC1)OC2- InChIKey
UQIFWHFHQUNJBT-UHFFFAOYSA-N- Molecular formula
- C7H13O4P
- Average molar mass
- 192.15 g/mol
- Monoisotopic mass
- 192.05514589
Names & identifiers
- Preferred name
- 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-propyl-, 1-oxide
- IUPAC
- 4-propyl-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octane 1-oxide
- English name
- 4-Propyl-2,6,7-trioxa-1-phospha(V)bicyclo[2.2.2]octan-1-one
- Molecular formula
- C7H13O4P
- Molecular weight
- 192.15
Names & synonyms
51486-74-9RefChem:10602022,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-propyl-, 1-oxidePropybicyphat4-propyl-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane 1-oxide4-Propyl-2,6,7-trioxa-1-phospha(V)bicyclo[2.2.2]octan-1-oneBRN 55137884-n-Propyl-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane-1-oxide1,3-Propanediol, 2-(hydroxymethyl)-2-(n-propyl)-, cyclic phosphateCHEMBL2287387DTXSID7058389SCHEMBL19597001
Show more names
2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane, 4-propyl-, 1-oxide
Propybicyphat, 95% (NMR), solidAKOS0062736454-Propyl-2,6,7-trioxa-1lambda~5~-phosphabicyclo[2.2.2]octan-1-one
Database identifiers
- CAS
51486-74-9- PubChem CID
- 93263
- DTXSID
DTXSID7058389- ChEMBL
CHEMBL2287387
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Boiling point
- 232.1 · 232.1±7.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Applications
UsesPropybicyphat is a GABA-gated chloride channel blocker.
Suppliers3 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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