Basic information
- CAS
17364-04-4- Standard SMILES
Nc1ccc(C(O)C(CO)NC(=O)C(Cl)Cl)cc1- InChIKey
BFLNGKUCFYKCFZ-UHFFFAOYSA-N- Molecular formula
- C11H14Cl2N2O3
- Average molar mass
- 293.14 g/mol
- Monoisotopic mass
- 292.0381477
Names & identifiers
- Preferred name
- N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]-2,2-dichloroacetamide
- IUPAC
- N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]-2,2-dichloroacetamide
- English name
- 1-(4-Aminophenyl)-2-(dichloroacetylamino)-1,3-propanediol
- Molecular formula
- C11H14Cl2N2O3
- Molecular weight
- 293.15
Names & synonyms
N-[1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]-2,2-dichloroacetamide17364-04-4SCHEMBL10777805DTXSID30274439N-[2-(4-Aminophenyl)-2-hydroxy-1-(hydroxymethyl)ethyl]-2,2-dichloroacetamidePD0405021-(4-Aminophenyl)-2-(dichloroacetylamino)-1,3-propanediolD-threo-1-p-aminophenyl-2-dichloroacetamidopropane-1,3-diolAcetamide, N-[2-(4-aminophenyl)-2-hydroxy-1-(hydroxymethyl)ethyl]-2,2-dichloro-
Database identifiers
- CAS
17364-04-4- PubChem CID
- 4647
- DTXSID
DTXSID30274439- Nikkaji
- J82.618I
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 95.6 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- Boiling point
- 634.7 · 634.7±55.0 °C(Predicted)
- Density
- 1.471 · 1.471±0.06 g/cm3(Predicted)
- pka
- 11.25 · 11.25±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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