Basic information
- CAS
7401-58-3- Standard SMILES
O=P1(Nc2ccc(Cl)cc2)NCCCN1- InChIKey
XBHKCLLGVSWPPF-UHFFFAOYSA-N- Molecular formula
- C9H13ClN3OP
- Average molar mass
- 245.64 g/mol
- Monoisotopic mass
- 245.0484767
Names & identifiers
- Preferred name
- n-(4-Chlorophenyl)-1,3,2-diazaphosphinan-2-amine 2-oxide
- IUPAC
- N-(4-chlorophenyl)-2-oxo-1,3,2λ5-diazaphosphinan-2-amine
Names & synonyms
7401-58-3n-(4-chlorophenyl)-1,3,2-diazaphosphinan-2-amine 2-oxideNSC67948DTXSID70290310NSC-679482-(4-Chloroanilino)-1,3,2lambda~5~-diazaphosphinan-2-one
Database identifiers
- CAS
7401-58-3- PubChem CID
- 249529
- DTXSID
DTXSID70290310- Nikkaji
- J2.370.456K
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 53.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 246
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…