1,3-Dianilinopropane
Basic information
- CAS
104-69-8- Standard SMILES
c1ccc(NCCCNc2ccccc2)cc1- InChIKey
JQMRSZJEVQNIPB-UHFFFAOYSA-N- Molecular formula
- C15H18N2
- Average molar mass
- 226.32 g/mol
- Monoisotopic mass
- 226.14699858
Names & identifiers
- Preferred name
- 1,3-Dianilinopropane
- IUPAC
- N,N'-diphenylpropane-1,3-diamine
- English name
- N,N'-diphenylpropane-1,3-diamine
- Molecular formula
- C15H18N2
- Molecular weight
- 226.32
Names & synonyms
104-69-8N,N'-Diphenylpropane-1,3-diamine1,3-Propanediamine, N,N'-diphenyl-1,3-dianilinopropane1,3-Propanediamine, N1,N3-diphenyl-N,N'-Diphenyl-1,3-propanediamineYJ3D396JXVEINECS 203-228-0DTXSID7059301RefChem:414232DTXCID2032849203-228-0
Show more names
N1,N3-DIPHENYLPROPANE-1,3-DIAMINEN1,N3-Diphenyl-1,3-propanediamine1,3-Bis(anilino)propaneN,N/'-Diphenylpropane-1,3-diamineSMR0000743461,3-Bis-phenylaminopropanUNII-YJ3D396JXV(3-anilinopropyl)phenylamine
Database identifiers
- CAS
104-69-8- PubChem CID
- 66916
- DTXSID
DTXSID7059301- ChEMBL
CHEMBL1526915- UNII
- YJ3D396JXV
- EC Number
- 203-228-0
- Nikkaji
- J182.184I
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Boiling point
- 249 · 249-250 °C(Press: 18 Torr)
- Density
- 1.099 · 1.099±0.06 g/cm3(Predicted)
- pka
- 5.03 · 5.03±0.50(Predicted)
- FDA UNII
- 3 D396JXV · YJ3D396JXV
- EPA Substance Registry System
- 1 · 1,3-Propanediamine, N,N'-diphenyl- (104-69-8)
- 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 Information1,3-Propanediamine, N1,N3-diphenyl-: INACTIVE
Suppliers
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Related reactions
2 records
Compound notes
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