Butyric acid, 2-(4-(4-chlorobenzyl)phenoxy)-2-methyl-, (+-), compd. with 3-pyridinemethanamine (1:1)
Basic information
- CAS
71548-90-8- Standard SMILES
CCC(C)(Oc1ccc(Cc2ccc(Cl)cc2)cc1)C(=O)[O-].[NH3+]Cc1cccnc1- InChIKey
IHILHAQLHUINAV-UHFFFAOYSA-N- Molecular formula
- C24H27ClN2O3
- Average molar mass
- 426.9 g/mol
- Monoisotopic mass
- 426.1710204
Names & identifiers
- Preferred name
- Butyric acid, 2-(4-(4-chlorobenzyl)phenoxy)-2-methyl-, (+-), compd. with 3-pyridinemethanamine (1:1)
- IUPAC
- 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylbutanoate;pyridin-3-ylmethylazanium
Names & synonyms
Sgd 171-7571548-90-8(+-)-2-(4-(4-Chlorobenzyl)phenoxy)-2-methylbutyric acid 3-pyridinylmethylamineRefChem:331248
Database identifiers
- CAS
71548-90-8- PubChem CID
- 51343
Properties
Computed structural properties
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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