N-propyl Hexylone (hydrochloride)
Basic information
- CAS
27912-42-1- Standard SMILES
CCCCC(NCCC)C(=O)c1ccc2c(c1)OCO2.Cl- InChIKey
AUNMCAKWVGCHGI-UHFFFAOYSA-N- Molecular formula
- C16H24ClNO3
- Average molar mass
- 313.82 g/mol
- Monoisotopic mass
- 313.1444713
Names & identifiers
- Preferred name
- N-propyl Hexylone (hydrochloride)
- IUPAC
- 1-(1,3-benzodioxol-5-yl)-2-(propylamino)hexan-1-one;hydrochloride
Names & synonyms
27912-42-1N-propyl Hexylone (hydrochloride)1-(1,3-benzodioxol-5-yl)-2-(propylamino)-1-hexanone, monohydrochloride1-(1,3-benzodioxol-5-yl)-2-(propylamino)hexan-1-one;hydrochlorideN-Propyl hexylone hydrochlorideDTXSID601345651CBA91242HY-1688311-(1,3-Benzodioxol-5-yl)-2-(propylamino)hexan-1-one hydrochloride (1:1)
Database identifiers
- CAS
27912-42-1- PubChem CID
- 131852016
- DTXSID
DTXSID601345651
Properties
Computed structural properties
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 308
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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