Basic information
- CAS
2791-37-9- Standard SMILES
CCCCCCCCCCCCCCCCCC1=NCCN1CCNCCN- InChIKey
IVCPSJKBLYOZEG-UHFFFAOYSA-N- Molecular formula
- C24H50N4
- Average molar mass
- 394.7 g/mol
- Monoisotopic mass
- 394.40354761
Names & identifiers
- Preferred name
- N-(2-(2-Heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethyl)ethylenediamine
- IUPAC
- N'-[2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethyl]ethane-1,2-diamine
- English name
- N-[2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethyl]ethylenediamine
- Molecular formula
- C24H50N4
- Molecular weight
- 394.68
Names & synonyms
2791-37-9EINECS 220-521-9N-(2-(2-Heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethyl)ethylenediamineSCHEMBL1029410DTXSID70950583IVCPSJKBLYOZEG-UHFFFAOYSA-NNS00047968N~1~-[2-(2-Heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethyl]ethane-1,2-diamineN-(2-Aminoethyl)-2-heptadecyl-4,5-dihydro-1H-imidazole-1-ethanamineN-[2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethyl]ethylenediamine2-Heptadecyl-1-[2-[(2-aminoethyl)amino]ethyl]-4,5-dihydro-1H-imidazole1,2-Ethanediamine, N1-[2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethyl]-
Database identifiers
- CAS
2791-37-9- PubChem CID
- 76038
- DTXSID
DTXSID70950583- EC Number
- 220-521-9
- Nikkaji
- J306.739D
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 53.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 21
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 357
Physicochemical properties
- Boiling point
- 538.1 · 538.1±33.0 °C(Predicted)
- Density
- 0.97 · 0.97±0.1 g/cm3(Predicted)
- pka
- 10.89 · 10.89±0.60(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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