Basic information
- CAS
27467-04-5- Standard SMILES
O=C(Nc1ccccc1)OCC[NH+](CCOC(=O)Nc1ccccc1)CCc1ccccc1.[Cl-]- InChIKey
CLLQCDGXKWQBLU-UHFFFAOYSA-N- Molecular formula
- C26H30ClN3O4
- Average molar mass
- 484 g/mol
- Monoisotopic mass
- 483.1924841
Names & identifiers
- Preferred name
- Carbanilic acid, diester with phenethyliminodiethanol, hydrochloride
- IUPAC
- bis[2-(phenylcarbamoyloxy)ethyl]-(2-phenylethyl)azanium chloride
Names & synonyms
Ethanol, 2,2'-phenethyliminodi-, dicarbanilate, hydrochlorideCARBANILIC ACID, DIESTER with PHENETHYLIMINODIETHANOL, HYDROCHLORIDE27467-04-5RefChem:332994
Database identifiers
- CAS
27467-04-5- PubChem CID
- 33869
Properties
Computed structural properties
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 518
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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