Basic information
- CAS
67195-96-4- Standard SMILES
CCCCOc1c(CC[NH+](CCOC(=O)Nc2ccccc2)CCOC(=O)Nc2ccccc2)cccc1OC.[Cl-]- InChIKey
NWEMTIHHEYAQDG-UHFFFAOYSA-N- Molecular formula
- C31H40ClN3O6
- Average molar mass
- 586.1 g/mol
- Monoisotopic mass
- 585.2605637
Names & identifiers
- Preferred name
- Carbanilic acid, diester with 2,2'-((2-butoxy-3-methoxyphenethyl)nitrilo)diethanol, hydrochloride
- IUPAC
- 2-(2-butoxy-3-methoxyphenyl)ethyl-bis[2-(phenylcarbamoyloxy)ethyl]azanium chloride
Names & synonyms
Carbanilic acid, diester with 2,2'-((2-butoxy-3-methoxyphenethyl)nitrilo)diethanol, hydrochloride67195-96-4Ethanol, 2,2'-((2-butoxy-3-methoxyphenethyl)nitrilo)di-, dicarbanilate, hydrochlorideRefChem:332993
Database identifiers
- CAS
67195-96-4- PubChem CID
- 49517
Properties
Computed structural properties
- Topological polar surface area
- 99.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 18
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 661
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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