Aniline, 4,4'-bis(3-benzylaminopropylidene)di-
Basic information
- CAS
22083-71-2- Standard SMILES
Nc1ccc(C(CCNCc2ccccc2)c2ccc(N)cc2)cc1- InChIKey
WMROBZVOJIHZQS-UHFFFAOYSA-N- Molecular formula
- C22H25N3
- Average molar mass
- 331.5 g/mol
- Monoisotopic mass
- 331.20484781
Names & identifiers
- Preferred name
- Aniline, 4,4'-bis(3-benzylaminopropylidene)di-
- IUPAC
- 4-[1-(4-aminophenyl)-3-(benzylamino)propyl]aniline
- English name
- N-[3,3-Bis(p-aminophenyl)propyl]benzylamine
- Molecular formula
- C22H25N3
- Molecular weight
- 331.45
Names & synonyms
TK 48622083-71-2ANILINE, 4,4'-BIS(3-BENZYLAMINOPROPYLIDENE)DI-4,4'-Bis(3-benzylaminopropylidene)dianilineDTXSID30176585RefChem:319610DTXCID5099076SCHEMBL304337384,4'-[3-(Benzylamino)propane-1,1-diyl]dianilineTK-486N-[3,3-Bis(p-aminophenyl)propyl]benzylamineBenzenepropanamine, 4-amino-γ-(4-aminophenyl)-N-(phenylmethyl)-
Database identifiers
- CAS
22083-71-2- PubChem CID
- 30937
- DTXSID
DTXSID30176585- Nikkaji
- J55.200C
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 328
Physicochemical properties
- Boiling point
- 562.6 · 562.6±50.0 °C(Predicted)
- Density
- 1.13 · 1.130±0.06 g/cm3(Predicted)
- pka
- 9.56 · 9.56±0.19(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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