Basic information
- CAS
51937-18-9- Standard SMILES
O=C(CCCCC(=O)Nc1c(Br)cc(Br)cc1Br)Nc1c(Br)cc(Br)cc1Br- InChIKey
LOONXPZWUBCFHH-UHFFFAOYSA-N- Molecular formula
- C18H14Br6N2O2
- Average molar mass
- 769.7 g/mol
- Monoisotopic mass
- 763.61555
Names & identifiers
- Preferred name
- N,N'-Bis(2,4,6-tribromophenyl)adipamide
- IUPAC
- N,N'-bis(2,4,6-tribromophenyl)hexanediamide
- English name
- N,N'-bis(2,4,6-tribromophenyl)adipamide
- Molecular formula
- C18H14Br6N2O2
- Molecular weight
- 769.74
Names & synonyms
51937-18-9N,N'-Bis(2,4,6-tribromophenyl)adipamideEINECS 257-528-1AY7MQS48SNDTXSID30199895LOONXPZWUBCFHH-UHFFFAOYSA-NN,N'-Bis(2,4,6-tribromophenyl) adipamideNS00032381N1,N6-Bis(2,4,6-tribromophenyl)hexanediamideHexanediamide, N1,N6-bis(2,4,6-tribromophenyl)-N~1~,N~6~-Bis(2,4,6-tribromophenyl)hexanediamideN,N'-Bis(2,4,6-tribromophenyl)hexanediamide
Database identifiers
- CAS
51937-18-9- PubChem CID
- 104019
- DTXSID
DTXSID30199895- UNII
- AY7MQS48SN
- EC Number
- 257-528-1
- Nikkaji
- J185.927G
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 470
Physicochemical properties
- Boiling point
- 726.8 · 726.8±60.0 °C(Predicted)
- Density
- 2.22 · 2.220±0.06 g/cm3(Predicted)
- pka
- 11.91 · 11.91±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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