Basic information
- CAS
26339-88-8- Standard SMILES
CC(CN(C)C)Oc1ccccc1Oc1ccc(Cl)cc1.O=C(O)/C=C\C(=O)O- InChIKey
XQGPGEHENJTLHA-BTJKTKAUSA-N- Molecular formula
- C21H24ClNO6
- Average molar mass
- 421.9 g/mol
- Monoisotopic mass
- 421.1292152
Names & identifiers
- Preferred name
- Phenetole, o-(p-chlorophenoxy)-beta-dimethylamino-alpha-methyl-, maleate
- IUPAC
- (Z)-but-2-enedioic acid;2-[2-(4-chlorophenoxy)phenoxy]-N,N-dimethylpropan-1-amine
Names & synonyms
Phenetole, o-(p-chlorophenoxy)-beta-dimethylamino-alpha-methyl-, maleate26339-88-8RefChem:1094774Ether, p-chlorophenyl o-(3-dimethylamino-2-propoxy)phenyl, bimaleate
Database identifiers
- CAS
26339-88-8- PubChem CID
- 6445280
Properties
Computed structural properties
- Topological polar surface area
- 96.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 411
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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