Basic information
- CAS
72089-11-3- Standard SMILES
CCCC=Nc1ccc(Cc2ccc(N=CCCC)cc2)cc1- InChIKey
HULWIRGKKACUSP-UHFFFAOYSA-N- Molecular formula
- C21H26N2
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.20959884
Names & identifiers
- Preferred name
- Benzenamine, 4,4'-methylenebis[N-butylidene-
- IUPAC
- N-[4-[[4-(butylideneamino)phenyl]methyl]phenyl]butan-1-imine
- English name
- 4,4'-Methylenebis(N-butylidenebenzenamine)
- Molecular formula
- C21H26N2
- Molecular weight
- 306.45
Names & synonyms
Benzenamine, 4,4'-methylenebis(N-butylidene-Benzenamine, 4,4'-methylenebis[N-butylidene-DTXSID9072494RefChem:561792DTXCID804721272089-11-3HULWIRGKKACUSP-UHFFFAOYSA-NN,N'-[Methylenedi(4,1-phenylene)]di(butan-1-imine)4,4'-Methylenebis(N-butylidenebenzenamine)
Database identifiers
- CAS
72089-11-3- PubChem CID
- 3085702
- DTXSID
DTXSID9072494- Nikkaji
- J447.036B
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 24.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 311
Physicochemical properties
- Boiling point
- 465.272 · 465.272±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.954 · 0.954±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 5.447 · 5.447±0.50(predicted)
- EPA Substance Registry System
- 4 · Benzenamine, 4,4'-methylenebis[N-butylidene- (72089-11-3)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenamine, 4,4'-methylenebis[N-butylidene-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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