2-[2-(Dimethylamino)ethyl]-4-methylphenyl (4-methylphenyl)phosphonate
Basic information
- CAS
78429-35-3- Standard SMILES
Cc1ccc(P(=O)([O-])Oc2ccc(C)cc2CCN(C)C)cc1- InChIKey
OWEZUHOCEZOZQY-UHFFFAOYSA-M- Molecular formula
- C18H23NO3P-
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.14155559
Names & identifiers
- Preferred name
- 2-[2-(Dimethylamino)ethyl]-4-methylphenyl (4-methylphenyl)phosphonate
- IUPAC
- [2-[2-(dimethylamino)ethyl]-4-methylphenoxy]-(4-methylphenyl)phosphinate
Names & synonyms
78429-35-3DTXSID908226722-[2-(Dimethylamino)ethyl]-4-methylphenyl (4-methylphenyl)phosphonate
Database identifiers
- CAS
78429-35-3- PubChem CID
- 71401643
- DTXSID
DTXSID90822672
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- -1
- Complexity
- 399
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Compound notes
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