Nitrilotriethane-2,1-diyl tris(2-(4-chloro-2-methylphenoxy)propionate)
Basic information
- CAS
93858-73-2- Standard SMILES
Cc1cc(Cl)ccc1OC(C)C(=O)OCCN(CCOC(=O)C(C)Oc1ccc(Cl)cc1C)CCOC(=O)C(C)Oc1ccc(Cl)cc1C- InChIKey
IXCVLLLMUNBPAU-UHFFFAOYSA-N- Molecular formula
- C36H42Cl3NO9
- Average molar mass
- 739.1 g/mol
- Monoisotopic mass
- 737.192515
Names & identifiers
- Preferred name
- Nitrilotriethane-2,1-diyl tris(2-(4-chloro-2-methylphenoxy)propionate)
- IUPAC
- 2-[bis[2-[2-(4-chloro-2-methylphenoxy)propanoyloxy]ethyl]amino]ethyl 2-(4-chloro-2-methylphenoxy)propanoate
- English name
- nitrilotriethane-2,1-diyl tris[2-(4-chloro-2-methylphenoxy)propionate]
- Molecular formula
- C36H42Cl3NO9
- Molecular weight
- 739.08
Names & synonyms
93858-73-2EINECS 299-307-2Nitrilotriethane-2,1-diyl tris(2-(4-chloro-2-methylphenoxy)propionate)DTXSID90917411IXCVLLLMUNBPAU-UHFFFAOYSA-NNitrilotri(ethane-2,1-diyl) tris[2-(4-chloro-2-methylphenoxy)propanoate]nitrilotriethane-2,1-diyl tris[2-(4-chloro-2-methylphenoxy)propionate]Tris[2-(4-chloro-2-methylphenoxy)propionic acid]nitrilotris(2,1-ethanediyl) esterPropanoic acid, 2-(4-chloro-2-methylphenoxy)-, nitrilotri-2,1-ethanediyl ester (9CI)2-[bis[2-[2-(4-chloro-2-methylphenoxy)propanoyloxy]ethyl]amino]ethyl 2-(4-chloro-2-methylphenoxy)propanoate
Database identifiers
- CAS
93858-73-2- PubChem CID
- 44148643
- DTXSID
DTXSID90917411- EC Number
- 299-307-2
- Nikkaji
- J317.738F
Properties
Computed structural properties
- XLogP
- 9.2
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 21
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 901
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…