Basic information
- CAS
40405-73-0- Standard SMILES
CCCCn1cnc(-c2ccc(OC(C)=O)cc2)c1.Cl- InChIKey
HREKPCHZCTXQJZ-UHFFFAOYSA-N- Molecular formula
- C15H19ClN2O2
- Average molar mass
- 294.77 g/mol
- Monoisotopic mass
- 294.1135055
Names & identifiers
- Preferred name
- Imidazole, 4-(p-acetoxyphenyl)-1-butyl-, hydrochloride
- IUPAC
- [4-(1-butylimidazol-4-yl)phenyl] acetate;hydrochloride
Names & synonyms
40405-73-0Verbindungen 328 [German]Verbindungen 328Imidazole, 4-(p-acetoxyphenyl)-1-butyl-, hydrochloride1-Butyl-4-(p-acetoxyphenyl)imidazole hydrochlorideDTXSID70193413RefChem:348862DTXCID801159044-(1-Butyl-1H-imidazol-4-yl)phenyl acetate hydrochloride4-(1-Butyl-1H-imidazol-4-yl)phenyl acetate--hydrogen chloride (1/1)
Database identifiers
- CAS
40405-73-0- PubChem CID
- 218243
- DTXSID
DTXSID70193413
Properties
Computed structural properties
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 288
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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