2-(4-Methoxyanilino)-1,3,2lambda~5~-diazaphosphinan-2-one
Basic information
- CAS
7355-54-6- Standard SMILES
COc1ccc(NP2(=O)NCCCN2)cc1- InChIKey
BLVCWKNHVJTARZ-UHFFFAOYSA-N- Molecular formula
- C10H16N3O2P
- Average molar mass
- 241.23 g/mol
- Monoisotopic mass
- 241.09801376
Names & identifiers
- Preferred name
- 2-(4-Methoxyanilino)-1,3,2lambda~5~-diazaphosphinan-2-one
- IUPAC
- N-(4-methoxyphenyl)-2-oxo-1,3,2λ5-diazaphosphinan-2-amine
Names & synonyms
MLS0026933857355-54-6NSC62414NCIOpen2_002683CHEMBL2136252DTXSID709943212-(4-Methoxyanilino)-1,3,2lambda~5~-diazaphosphinan-2-oneHMS3079J05NSC-62414SMR001559341
Database identifiers
- CAS
7355-54-6- PubChem CID
- 247553
- DTXSID
DTXSID70994321- ChEMBL
CHEMBL2136252
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 62.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 257
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Compound notes
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