Basic information
- CAS
3658-72-8- Standard SMILES
CCOc1ccc2c(c1)C(C)=CC(C)(C)N2.O=P(O)(O)O- InChIKey
HGXWAQIWVLMXFM-UHFFFAOYSA-N- Molecular formula
- C14H22NO5P
- Average molar mass
- 315.3 g/mol
- Monoisotopic mass
- 315.1235598
Names & identifiers
- Preferred name
- Quinoline, 6-ethoxy-1,2-dihydro-2,2,4-trimethyl-, phosphate (1:1)
- IUPAC
- 6-ethoxy-2,2,4-trimethyl-1H-quinoline;phosphoric acid
Names & synonyms
3658-72-8L3ZFF2BRN8Quinoline, 6-ethoxy-1,2-dihydro-2,2,4-trimethyl-, phosphate (1:1)ETHOXYQUIN PHOSPHATESCHEMBL3858711DTXSID20621473Phosphoric acid--6-ethoxy-2,2,4-trimethyl-1,2-dihydroquinoline (1/1)
Database identifiers
- CAS
3658-72-8- PubChem CID
- 22011663
- DTXSID
DTXSID20621473- UNII
- L3ZFF2BRN8
Properties
Computed structural properties
- Topological polar surface area
- 99 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 332
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…