Aniline, 4,4'-(3-aminopropylidene)di-
Basic information
- CAS
6063-40-7- Standard SMILES
Nc1ccc(CCC(N)c2ccc(N)cc2)cc1- InChIKey
QAONFKCWKTUBRJ-UHFFFAOYSA-N- Molecular formula
- C15H19N3
- Average molar mass
- 241.33 g/mol
- Monoisotopic mass
- 241.15789762
Names & identifiers
- Preferred name
- Aniline, 4,4'-(3-aminopropylidene)di-
- IUPAC
- 4-[3-amino-3-(4-aminophenyl)propyl]aniline
- English name
- 4,4'-(3-Aminopropylidene)bisaniline
- Molecular formula
- C15H19N3
- Molecular weight
- 241.33
Names & synonyms
6063-40-7ANILINE, 4,4'-(3-AMINOPROPYLIDENE)DI-RefChem:1077002TK 1743,3-Bis-(4-aminophenyl)-propylamineBRN 21270704-Amino-gamma-(4-aminophenyl)benzenepropanamineBenzenepropanamine, 4-amino-gamma-(4-aminophenyl)-1,1-Bis-(4-aminophenyl)-propyl-(3)-amin [German]SCHEMBL5685307DTXSID709760614,4'-(1-Aminopropane-1,3-diyl)dianiline
Show more names
TK-1743,3-Bis(p-aminophenyl)propylamine4,4'-(3-Aminopropylidene)bisanilineBenzenepropanamine, 4-amino-γ-(4-aminophenyl)-
1,1-Bis-(4-aminophenyl)-propyl-(3)-amin
Database identifiers
- CAS
6063-40-7- PubChem CID
- 22432
- DTXSID
DTXSID70976061
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 228
Physicochemical properties
- Toxicity
- 50 oral · LD50 oral in mouse: 2300mg/kg
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
- Toxicity
- LD50 oral in mouse: 2300mg/kg
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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