Basic information
- CAS
3891-30-3- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)N1CC1- InChIKey
UJBORAMHOAWXLF-UHFFFAOYSA-N- Molecular formula
- C20H39NO
- Average molar mass
- 309.5 g/mol
- Monoisotopic mass
- 309.30316487
Names & identifiers
- Preferred name
- Aziridine, 1-stearoyl-
- IUPAC
- 1-(aziridin-1-yl)octadecan-1-one
- English name
- Stearoylethylenimine
- Molecular formula
- C20H39NO
- Molecular weight
- 309.53
Names & synonyms
1-StearoylaziridineAZIRIDINE, 1-STEAROYL-Stearoyl ethyleneimineBRN 01878923891-30-3DTXSID301921494-20-00-00016 (Beilstein Handbook Reference)RefChem:320419DTXCID901146401-(aziridin-1-yl)octadecan-1-oneSTEAROYLETHYLENIMINEethylene stearamide
Show more names
AZIRIDINE,1-STEAROYL-1-Octadecanone, 1-(1-aziridinyl)-
SCHEMBL768398
Database identifiers
- CAS
3891-30-3- PubChem CID
- 19772
- DTXSID
DTXSID30192149- Nikkaji
- J62.404G
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 20.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 16
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Boiling point
- 449.79 °C · 449.79°C (rough estimate)
- Density
- 0.9422 · 0.9422 (rough estimate)
- refractive index
- 1.5614 · 1.5614 (estimate)
- pka
- -2.38 · -2.38±0.20(Predicted)
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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