Basic information
- CAS
68123-11-5- Standard SMILES
CCCCCCCCCCCCCCCOCCCNCCCN- InChIKey
PUKQYCOBAZVBIG-UHFFFAOYSA-N- Molecular formula
- C21H46N2O
- Average molar mass
- 342.6 g/mol
- Monoisotopic mass
- 342.3610141
Names & identifiers
- Preferred name
- 1,3-Propanediamine, N1-(3-(pentadecyloxy)propyl)-
- IUPAC
- N'-(3-pentadecoxypropyl)propane-1,3-diamine
- English name
- N-[3-(pentadecyloxy)propyl]propane-1,3-diamine
- Molecular formula
- C21H46N2O
- Molecular weight
- 342.6
Names & synonyms
N-(3-Pentadecyloxypropyl)-1,3-propylenediamineEINECS 268-542-21,3-Propanediamine, N-[3-(pentadecyloxy)propyl]-1,3-Propanediamine, N-(3-(pentadecyloxy)propyl)-1,3-Propanediamine, N1-(3-(pentadecyloxy)propyl)-1,3-Propanediamine, N1-[3-(pentadecyloxy)propyl]-RefChem:41548268123-11-5SCHEMBL8824234DTXSID6071118PUKQYCOBAZVBIG-UHFFFAOYSA-NNS00036418
Show more names
N-[3-(Pentadecyloxy)propyl]-1,3-propanediamineN-[3-(pentadecyloxy)propyl]propane-1,3-diamine
N-(3-(Pentadecyloxy)propyl)propane-1,3-diamineN~1~-[3-(Pentadecyloxy)propyl]propane-1,3-diamine
Database identifiers
- CAS
68123-11-5- PubChem CID
- 106643
- DTXSID
DTXSID6071118- EC Number
- 268-542-2
- Nikkaji
- J317.338K
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 21
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 212
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,3-Propanediamine, N-[3-(pentadecyloxy)propyl]- (68123-11-5)
- 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-[3-(pentadecyloxy)propyl]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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