Basic information
- CAS
883792-15-2- Standard SMILES
CC(CCC(=O)Nc1cccc(Br)c1)CC(=O)Nc1cccc(Br)c1- InChIKey
ZCLUQZMTCPDNKI-UHFFFAOYSA-N- Molecular formula
- C19H20Br2N2O2
- Average molar mass
- 468.2 g/mol
- Monoisotopic mass
- 465.98915
Names & identifiers
- Preferred name
- N(1),N(6)-Bis(3-bromophenyl)-3-methylhexanediamide
- IUPAC
- N,N'-bis(3-bromophenyl)-3-methylhexanediamide
- English name
- N(1),N(6)-Bis(3-bromophenyl)-3-methylhexanediamide
- Molecular formula
- C19H20Br2N2O2
- Molecular weight
- 468.18
Names & synonyms
AKOS024325492N(1),N(6)-BIS(3-BROMOPHENYL)-3-METHYLHEXANEDIAMIDEHexanediamide, N1,N6-bis(3-bromophenyl)-3-methyl-
Database identifiers
- CAS
883792-15-2- PubChem CID
- 4464871
- EC Number
- 146-395-4
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 447
Physicochemical properties
- Boiling point
- 641.938 · 641.938±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.567 · 1.567±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.192 · 14.192±0.70(predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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