Basic information
- CAS
1058-23-7- Standard SMILES
O=P1(Nc2ccccc2)N(Cc2ccc(Cl)cc2)CCCN1Cc1ccc(Cl)cc1- InChIKey
YTKBKROTEAGWJN-UHFFFAOYSA-N- Molecular formula
- C23H24Cl2N3OP
- Average molar mass
- 460.3 g/mol
- Monoisotopic mass
- 459.1034048
Names & identifiers
- Preferred name
- 1,3-Bis(4-chlorobenzyl)-n-phenyl-1,3,2-diazaphosphinan-2-amine 2-oxide
- IUPAC
- 1,3-bis[(4-chlorophenyl)methyl]-2-oxo-N-phenyl-1,3,2λ5-diazaphosphinan-2-amine
Names & synonyms
1058-23-71,3-bis(4-chlorobenzyl)-n-phenyl-1,3,2-diazaphosphinan-2-amine 2-oxideNSC67163DTXSID00290166NSC-671632-Anilino-1,3-bis[(4-chlorophenyl)methyl]-1,3,2lambda~5~-diazaphosphinan-2-one
Database identifiers
- CAS
1058-23-7- PubChem CID
- 249153
- DTXSID
DTXSID00290166
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 35.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 537
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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