Dimethyl (1-anilino-2-methylpropyl)phosphonate
Basic information
- CAS
476014-40-1- Standard SMILES
COP(=O)(OC)C(Nc1ccccc1)C(C)C- InChIKey
KBNXGPVTDVJSPB-UHFFFAOYSA-N- Molecular formula
- C12H20NO3P
- Average molar mass
- 257.27 g/mol
- Monoisotopic mass
- 257.1180805
Names & identifiers
- Preferred name
- Dimethyl (1-anilino-2-methylpropyl)phosphonate
- IUPAC
- N-(1-dimethoxyphosphoryl-2-methylpropyl)aniline
Names & synonyms
Dimethyl (1-anilino-2-methylpropyl)phosphonate476014-40-1DTXSID90786508RefChem:338339DTXCID30737251
Database identifiers
- CAS
476014-40-1- PubChem CID
- 71362909
- DTXSID
DTXSID90786508- Nikkaji
- J2.274.985D
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 256
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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