Basic information
- CAS
13426-08-9- Standard SMILES
CCCC(COC(=O)C(c1ccccc1)c1ccccc1)[NH+](CC)CC.[Cl-]- InChIKey
IVZNBKITKIPPQU-UHFFFAOYSA-N- Molecular formula
- C23H32ClNO2
- Average molar mass
- 390 g/mol
- Monoisotopic mass
- 389.212157
Names & identifiers
- Preferred name
- Iem 525
- IUPAC
- 1-(2,2-diphenylacetyl)oxypentan-2-yl-diethylazanium chloride
Names & synonyms
IEM 52513426-08-9RefChem:1087157Diphenylacetic acid 2-(diethylamino)pentyl ester hydrochlorideAcetic acid, diphenyl-, 2-(diethylamino)pentyl esterBenzeneacetic acid, alpha-phenyl-, 2-(diethylamino)pentyl esterACETIC ACID, DIPHENYL-, 2-(DIETHYLAMINO)PENTYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
13426-08-9- PubChem CID
- 25976
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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