Aziridine, 1-hexanoyl-
Basic information
- CAS
45776-10-1- Standard SMILES
CCCCCC(=O)N1CC1- InChIKey
KFUCFNVEDNPNRD-UHFFFAOYSA-N- Molecular formula
- C8H15NO
- Average molar mass
- 141.21 g/mol
- Monoisotopic mass
- 141.1153641
Names & identifiers
- Preferred name
- Aziridine, 1-hexanoyl-
- IUPAC
- 1-(aziridin-1-yl)hexan-1-one
- English name
- 1-Hexanoylaziridine
- Molecular formula
- C8H15NO
- Molecular weight
- 141.21
Names & synonyms
1-Hexanoylaziridine1-CaproylaziridineCaproylethyleneimineHexanoylethyleneimineAZIRIDINE, 1-HEXANOYL-1-(aziridin-1-yl)hexan-1-oneAziridine, 1-caproyl-45776-10-1G5545J45KBUNII-G5545J45KBSCHEMBL2134122DTXSID20196616
Show more names
1-(1-AZIRIDINYL)-1-HEXANONE1-HEXANONE, 1-(1-AZIRIDINYL)-
Database identifiers
- CAS
45776-10-1- PubChem CID
- 39432
- DTXSID
DTXSID20196616- UNII
- G5545J45KB
- Nikkaji
- J62.391A
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 20.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 118
Physicochemical properties
- Boiling point
- 258.27 °C · 258.27°C (rough estimate)
- Density
- 0.9938 · 0.9938 (rough estimate)
- refractive index
- 1.461 · 1.4610 (estimate)
- FDA UNII
- 5545 J45KB · G5545J45KB
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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