Basic information
- CAS
27467-07-8- Standard SMILES
CCCOc1c(CC[NH+](CCOC(=O)Nc2ccccc2)CCOC(=O)Nc2ccccc2)cccc1OC.[Cl-]- InChIKey
WTQNDMIEBYTLIK-UHFFFAOYSA-N- Molecular formula
- C30H38ClN3O6
- Average molar mass
- 572.1 g/mol
- Monoisotopic mass
- 571.2449136
Names & identifiers
- Preferred name
- Carbanilic acid, diester with (3-methoxy-2-propoxyphenethyl)iminodiethanol, hydrochloride
- IUPAC
- 2-(3-methoxy-2-propoxyphenyl)ethyl-bis[2-(phenylcarbamoyloxy)ethyl]azanium chloride
Names & synonyms
27467-07-8Ethanol, 2,2'-(3-methoxy-2-propoxyphenethyl)iminodi-, dicarbanilate, hydrochlorideCarbanilic acid, diester with (3-methoxy-2-propoxyphenethyl)iminodiethanol, hydrochlorideRefChem:332992NS00096731
Database identifiers
- CAS
27467-07-8- PubChem CID
- 33875
Properties
Computed structural properties
- Topological polar surface area
- 99.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 17
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 646
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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