4-(Dimethylamino)-3,5-dimethylphenyl diethyl phosphate
Basic information
- CAS
54436-52-1- Standard SMILES
CCOP(=O)(OCC)Oc1cc(C)c(N(C)C)c(C)c1- InChIKey
MEGPIFVRYWRYDD-UHFFFAOYSA-N- Molecular formula
- C14H24NO4P
- Average molar mass
- 301.32 g/mol
- Monoisotopic mass
- 301.14429524
Names & identifiers
- Preferred name
- 4-(Dimethylamino)-3,5-dimethylphenyl diethyl phosphate
- IUPAC
- [4-(dimethylamino)-3,5-dimethylphenyl] diethyl phosphate
Names & synonyms
MLS00073822154436-52-1HMS2885C22NSC1329864-(dimethylamino)-3,5-dimethylphenyl diethyl phosphateCHEMBL1463418DTXSID80299814NSC-132986SMR000528582
Database identifiers
- CAS
54436-52-1- PubChem CID
- 280816
- DTXSID
DTXSID80299814- ChEMBL
CHEMBL1463418
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 315
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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