Basic information
- CAS
52134-57-3- Standard SMILES
CC(OP(C)(=O)Oc1ccc(N)cc1)C(C)(C)C- InChIKey
QYKVBHFKNHUXPY-UHFFFAOYSA-N- Molecular formula
- C13H22NO3P
- Average molar mass
- 271.29 g/mol
- Monoisotopic mass
- 271.13373056
Names & identifiers
- Preferred name
- Phosphonic acid, methyl-, 4-aminophenyl 1,2,2-trimethylpropyl ester
- IUPAC
- 4-[3,3-dimethylbutan-2-yloxy(methyl)phosphoryl]oxyaniline
Names & synonyms
52134-57-3Phosphonic acid, methyl-, 4-aminophenyl 1,2,2-trimethylpropyl ester4-aminophenyl 3,3-dimethylbutan-2-yl methylphosphonate4-Aminophenyl 1,2,2-trimethylpropyl methyl phosphonateO-p-Aminophenyl O'-pinacolyl methylphosphonateDTXSID90966489p-aminophenyl pinacolyl methyl-phosphonate
Database identifiers
- CAS
52134-57-3- PubChem CID
- 179596
- DTXSID
DTXSID90966489- Nikkaji
- J541.573J
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 306
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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