Basic information
- CAS
245653-28-5- Standard SMILES
CCOP(=O)(Cc1ccc(N(c2ccc(CP(=O)(OCC)OCC)cc2)c2ccc(CP(=O)(OCC)OCC)cc2)cc1)OCC- InChIKey
QSIHEHOEKXITFT-UHFFFAOYSA-N- Molecular formula
- C33H48NO9P3
- Average molar mass
- 695.7 g/mol
- Monoisotopic mass
- 695.25419201
Names & identifiers
- Preferred name
- 4-(diethoxyphosphorylmethyl)-N,N-bis[4-(diethoxyphosphorylmethyl)phenyl]aniline
- IUPAC
- 4-(diethoxyphosphorylmethyl)-N,N-bis[4-(diethoxyphosphorylmethyl)phenyl]aniline
- English name
- DIETHYL (4-{BIS-[4-(DIETHOXY-PHOSPHORYLMETHYL)-PHENYL]-AMINO}-BENZYL)-PHOSPHONATE
- Molecular formula
- C33H48NO9P3
- Molecular weight
- 695.66
Names & synonyms
245653-28-54-(diethoxyphosphorylmethyl)-N,N-bis[4-(diethoxyphosphorylmethyl)phenyl]anilineDIETHYL(4-{BIS-[4-(DIETHOXY-PHOSPHORYLMETHYL)-PHENYL]-AMINO}-BENZYL)-PHOSPHONATEPhosphonic acid, P,P',P''-[nitrilotris(4,1-phenylenemethylene)]tris-, P,P,P',P',P'',P''-hexaethyl ester(4-{Bis-[4-(diethoxy-phosphorylmethyl)-phenyl]-amino}-benzyl)-phosphonic acid diethyl esterDiethyl (4-{bis-[4-(diethoxy-phosphorylmethyl)-phenyl]-amino}-benzyl)-phosphonateDTXSID00454504DB-309949Hexaethyl [nitrilotris(4,1-phenylenemethylene)]tris(phosphonate)Hexaethyl {nitrilotris[(4,1-phenylene)methylene]}tris(phosphonate)tris(4-diethylphosphonatemethylphenyl)amine
Database identifiers
- CAS
245653-28-5- PubChem CID
- 11083008
- DTXSID
DTXSID00454504- Nikkaji
- J1.954.279C
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 21
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 839
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
吉林中科研伸科技有限公司18143011203 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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