Basic information
- CAS
68527-65-1- Standard SMILES
CN(C)CCCN(CCCN)CCCNCCCN- InChIKey
CHTMDIPJWQYHKG-UHFFFAOYSA-N- Molecular formula
- C14H35N5
- Average molar mass
- 273.46 g/mol
- Monoisotopic mass
- 273.28924614
Names & identifiers
- Preferred name
- N1,N3-Bis(3-aminopropyl)-N1-[3-(dimethylamino)propyl]-1,3-propanediamine
- IUPAC
- N'-[3-[3-aminopropyl-[3-(dimethylamino)propyl]amino]propyl]propane-1,3-diamine
- English name
- N,N'-bis(3-aminopropyl)-N-[3-(dimethylamino)propyl]propane-1,3-diamine
- Molecular formula
- C14H35N5
- Molecular weight
- 273.46
Names & synonyms
68527-65-1U2L8LZX7FSEINECS 271-274-9UNII-U2L8LZX7FS1,3-Propanediamine, N,N'-bis(3-aminopropyl)-N-[3-(dimethylamino)propyl]-DTXSID70716081,3-Propanediamine, N,N'-bis(3-aminopropyl)-N-(3-(dimethylamino)propyl)-1,3-Propanediamine, N1,N3-bis(3-aminopropyl)-N1-(3-(dimethylamino)propyl)-N1,N3-Bis(3-aminopropyl)-N1-(3-(dimethylamino)propyl)-1,3-propanediamineN1,N3-Bis(3-aminopropyl)-N1-[3-(dimethylamino)propyl]-1,3-propanediamine1,3-Propanediamine, N1,N3-bis(3-aminopropyl)-N1-[3-(dimethylamino)propyl]-RefChem:164302
Show more names
N,N'-Bis(3-aminopropyl)-N-[3-(dimethylamino)propyl]-1,3-propanediamineN,N'-bis(3-aminopropyl)-N-[3-(dimethylamino)propyl]propane-1,3-diamine
DTXCID9046077271-274-9N,N'-Bis(3-aminopropyl)-N-(3-(dimethylamino)propyl)propane-1,3-diamineCHTMDIPJWQYHKG-UHFFFAOYSA-NNS00036632N~1~-(3-Aminopropyl)-N~1~-{3-[(3-aminopropyl)amino]propyl}-N~3~,N~3~-dimethylpropane-1,3-diamine
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 70.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 14
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- Boiling point
- 358.6 · 358.6±10.0 °C(Predicted)
- Density
- 0.941 · 0.941±0.06 g/cm3(Predicted)
- pka
- 10.21 · 10.21±0.19(Predicted)
- FDA UNII
- 2 L8LZX7FS · U2L8LZX7FS
- EPA Substance Registry System
- 1 · 1,3-Propanediamine, N,N'-bis(3-aminopropyl)-N-[3-(dimethylamino)propyl]- (68527-65-1)
- 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-bis(3-aminopropyl)-N1-[3-(dimethylamino)propyl]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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