N(1),N(6)-Bis(4-butylphenyl)hexanediamide
Basic information
- CAS
547712-48-1- Standard SMILES
CCCCc1ccc(NC(=O)CCCCC(=O)Nc2ccc(CCCC)cc2)cc1- InChIKey
FJEBXMCCUQWXKT-UHFFFAOYSA-N- Molecular formula
- C26H36N2O2
- Average molar mass
- 408.6 g/mol
- Monoisotopic mass
- 408.2776784
Names & identifiers
- Preferred name
- N(1),N(6)-Bis(4-butylphenyl)hexanediamide
- IUPAC
- N,N'-bis(4-butylphenyl)hexanediamide
Names & synonyms
N(1),N(6)-BIS(4-BUTYLPHENYL)HEXANEDIAMIDERefChem:821354547712-48-1664-653-9N,N'-bis(4-butylphenyl)hexanediamideAKOS003886462ST110426
Database identifiers
- CAS
547712-48-1- PubChem CID
- 4597997
- EC Number
- 664-653-9
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 13
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 433
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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