Basic information
- Standard SMILES
CC(=O)Nc1c(I)c(C(=O)N(C)CC(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c1I- InChIKey
RSBZNKFYPLBYBR-UHFFFAOYSA-N- Molecular formula
- C18H24I3N3O7
- Average molar mass
- 775.1 g/mol
Overview
structure
Names & identifiers
- Preferred name
- Compound 17
- IUPAC
- 5-acetamido-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
- English name
- 5-(Acetylamino)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-N,N'-dimethyl-1,3-benzenedicarboxamide
- Molecular formula
- C18H24I3N3O7
- Molecular weight
- 775.11
Names & synonyms
31122-84-61,3-Benzenedicarboxamide, 5-(acetylamino)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-N,N'-dimethyl-5-acetamido-2,4,6-triiodo-N,N'-di-(2,3-dihydroxypropyl)-N,N'-dimethylisophthalamideRefChem:918961Compound 175-Acetylamino-2,4,6-triiodo-isophthalic acid di-(N-methyl-2,3-dihydroxypropylamide)SCHEMBL619808DTXSID80875071RSBZNKFYPLBYBR-UHFFFAOYSA-NIsophthalamide, 5-acetamido-N,N'-bis(2,3-dihydroxypropyl)-N,N'-dimethyl-2,4,6-triiodo-5-acetylamino-N,N'-bis-(2,3-dihydroxypropyl)-2,4,6-triiodo-N,N'-dimethyl isophthalamide1,3-Benzenedicarboxamide, 5-(acetylamino)-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-N1,N3-dimethyl-
Show more names
Tefluthrin Impurity 35-Acetylamino-N,N'-bis(2,3-dihydroxypropyl)-N,N'-dimethyl-2,4,6-triiodoisophthalamide5-(Acetylamino)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-N,N'-dimethyl-1,3-benzenedicarboxamide
5-Acetamido-N~1~,N~3~-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-N~1~,N~3~-dimethylbenzene-1,3-dicarboxamide
Database identifiers
- CAS
31122-84-6- PubChem CID
- 198101
- DTXSID
DTXSID80875071- ChEMBL
CHEMBL1093266、CHEMBL4641354- Nikkaji
- J68.816I
Properties
Computed structural properties
- XLogP
- -2.2
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 601
Experimental & physicochemical properties
LogP-2.14
Physicochemical properties
- Melting point
- 135 · 135-159 °C
- Boiling point
- 923 · 923.0±65.0 °C(Predicted)
- Density
- 1.9601 · 1.9601 (estimate)
- pka
- 12.15 · 12.15±0.70(Predicted)
Related reactions
2 records
Linked notes
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