Basic information
- CAS
42450-16-8- Standard SMILES
CCN(CC)c1ccc(C(=N)c2ccc(N(CC)CC)cc2)cc1- InChIKey
HPKYMNAXAKNZCR-UHFFFAOYSA-N- Molecular formula
- C21H29N3
- Average molar mass
- 323.5 g/mol
- Monoisotopic mass
- 323.23614794
Names & identifiers
- Preferred name
- Benzenamine, 4,4'-carbonimidoylbis[N,N-diethyl-
- IUPAC
- 4-[4-(diethylamino)benzenecarboximidoyl]-N,N-diethylaniline
- English name
- 4,4'-carbonimidoylbis[N,N-diethylaniline]
- Molecular formula
- C21H29N3
- Molecular weight
- 323.47506
Names & synonyms
Benzenamine, 4,4'-carbonimidoylbis[N,N-diethyl-Benzenamine, 4,4'-carbonimidoylbis(N,N-diethyl-RefChem:5617704,4'-Carbonimidoylbis(N,N-diethylaniline)42450-16-8EINECS 255-829-2ME6MAV4NBZDTXSID30195231HPKYMNAXAKNZCR-UHFFFAOYSA-NNS000311814,4'-carbonimidoylbis[N,N-diethylaniline]4,4'-Carbonimidoylbis(N,N-diethylbenzenamine)
Show more names
4,4'-Iminomethylenebis[N,N-diethylbenzenamine]4,4'-(Carbonimidoyl)bis[N,N-diethylbenzenamine]Benzenamine, 4,4'-carbonimidoylbis[N,N-diethyl- (9CI)
Database identifiers
- CAS
42450-16-8- PubChem CID
- 80680
- DTXSID
DTXSID30195231- UNII
- ME6MAV4NBZ
- EC Number
- 255-829-2
- Nikkaji
- J292.549D
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 30.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 323
Physicochemical properties
- Melting point
- 67 · 67-68 °C
- Boiling point
- 457.8 · 457.8±30.0 °C(Predicted)
- Density
- 0.98 · 0.98±0.1 g/cm3(Predicted)
- pka
- 10.17 · 10.17±0.50(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Benzenamine, 4,4'-carbonimidoylbis[N,N-diethyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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