Basic information
- CAS
1177-65-7- Standard SMILES
Cc1ccc(NP2(=O)N(Cc3ccc(Cl)cc3)CCCN2Cc2ccc(Cl)cc2)cc1- InChIKey
UXYHMHWECMOWJW-UHFFFAOYSA-N- Molecular formula
- C24H26Cl2N3OP
- Average molar mass
- 474.4 g/mol
- Monoisotopic mass
- 473.1190548
Names & identifiers
- Preferred name
- N-(1,3-Bis(4-chlorobenzyl)-2-oxido-1,3,2-diazaphosphinan-2-yl)-N-(4-methylphenyl)amine
- IUPAC
- 1,3-bis[(4-chlorophenyl)methyl]-N-(4-methylphenyl)-2-oxo-1,3,2λ5-diazaphosphinan-2-amine
Names & synonyms
NSC684691177-65-7N-(1,3-Bis(4-chlorobenzyl)-2-oxido-1,3,2-diazaphosphinan-2-yl)-N-(4-methylphenyl)amineNSC 68469NSC-684691,3-Bis(4-chlorobenzyl)-N-(4-methylphenyl)-1,3,2-diazaphosphinan-2-amine 2-oxideCGG4GCV8QXDTXSID701518761,3-Bis[(4-chlorophenyl)methyl]-2-(4-methylanilino)-1,3,2lambda~5~-diazaphosphinan-2-one1,3-bis[(4-chlorophenyl)methyl]-2-oxo-N-(p-tolyl)-1,3,2$l^{5}-diazaphosphinan-2-amine1,3 Bis[(4-chlorophenyl)methyl]-N-(4-methylphenyl)-2-oxo-1,3,2lambda5-diazaphosphinan-2-amine1,3,2-Diazaphosphorin-2(1H)-amine, 1,3-bis[(4-chlorophenyl)methyl]tetrahydro-N-(4-methylphenyl)-, 2-oxide
Database identifiers
- CAS
1177-65-7- PubChem CID
- 415299
- DTXSID
DTXSID70151876- UNII
- CGG4GCV8QX
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 35.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 564
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…