Basic information
- CAS
63021-43-2- Standard SMILES
CCCCCCCCCCCCCC(=O)N1CC1- InChIKey
RGRWFYTXKZEOIS-UHFFFAOYSA-N- Molecular formula
- C16H31NO
- Average molar mass
- 253.42 g/mol
- Monoisotopic mass
- 253.24056461
Names & identifiers
- Preferred name
- 1-Myristoylaziridine
- IUPAC
- 1-(aziridin-1-yl)tetradecan-1-one
- English name
- 1-Myristoylaziridine
- Molecular formula
- C16H31NO
- Molecular weight
- 253.42
Names & synonyms
1-MyristoylaziridineAZIRIDINE, 1-MYRISTOYL-63021-43-2Myristoylethyleneimine1-(aziridin-1-yl)tetradecan-1-oneTetradecanoylethyleneimineSCHEMBL27979794DTXSID20212305DB-3122471-Tetradecanone, 1-(1-aziridinyl)-
Database identifiers
- CAS
63021-43-2- PubChem CID
- 44323
- DTXSID
DTXSID20212305- Nikkaji
- J62.393H
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 20.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 12
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 211
Physicochemical properties
- Boiling point
- 396.62 °C · 396.62°C (rough estimate)
- Density
- 0.902 · 0.9020 (rough estimate)
- refractive index
- 1.466 · 1.4660 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…