Basic information
- CAS
27467-06-7- Standard SMILES
CCOc1c(CC[NH+](CCOC(=O)Nc2ccccc2)CCOC(=O)Nc2ccccc2)cccc1OC.[Cl-]- InChIKey
XNTKAUVCFYTMQO-UHFFFAOYSA-N- Molecular formula
- C29H36ClN3O6
- Average molar mass
- 558.1 g/mol
- Monoisotopic mass
- 557.2292636
Names & identifiers
- Preferred name
- Carbanilic acid, diester with (2-ethoxy-3-methoxyphenethyl)iminodiethanol, hydrochloride
- IUPAC
- 2-(2-ethoxy-3-methoxyphenyl)ethyl-bis[2-(phenylcarbamoyloxy)ethyl]azanium chloride
Names & synonyms
27467-06-7Ethanol, 2,2'-(2-ethoxy-3-methoxyphenethyl)iminodi-, dicarbanilate, hydrochlorideCarbanilic acid, diester with (2-ethoxy-3-methoxyphenethyl)iminodiethanol, hydrochlorideRefChem:332991
Database identifiers
- CAS
27467-06-7- PubChem CID
- 33873
Properties
Computed structural properties
- Topological polar surface area
- 99.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 16
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 631
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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