Basic information
- CAS
73826-48-9- Standard SMILES
CC(C)CCOc1ccc(C(=O)CCN2CCCC2)cc1.Cl- InChIKey
UWTQRJOBKVDKLD-UHFFFAOYSA-N- Molecular formula
- C18H28ClNO2
- Average molar mass
- 325.9 g/mol
- Monoisotopic mass
- 325.1808568
Names & identifiers
- Preferred name
- Propiophenone, 4'-isopentyloxy-3-pyrrolidinyl-, hydrochloride
- IUPAC
- 1-[4-(3-methylbutoxy)phenyl]-3-pyrrolidin-1-ylpropan-1-one;hydrochloride
Names & synonyms
Propiophenone, 4'-isopentyloxy-3-pyrrolidinyl-, hydrochloride4'-Isopentyloxy-3-pyrrolidinylpropiophenone hydrochloride73826-48-9DTXSID00224320RefChem:375475DTXCID001468111-[4-(3-Methylbutoxy)phenyl]-3-(pyrrolidin-1-yl)propan-1-one--hydrogen chloride (1/1)
Database identifiers
- CAS
73826-48-9- PubChem CID
- 3056751
- DTXSID
DTXSID00224320
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 302
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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