Basic information
- CAS
73698-76-7- Standard SMILES
CC[NH+](CC)CCOCCOCCOCCOC(=O)c1ccc(N)cc1.[Cl-]- InChIKey
MDJCOUTXEQMTBW-UHFFFAOYSA-N- Molecular formula
- C19H33ClN2O5
- Average molar mass
- 404.9 g/mol
- Monoisotopic mass
- 404.2077999
Names & identifiers
- Preferred name
- 12-Ethyl-3,6,9-trioxa-12-azatetradecan-1-yl 4-aminobenzoate--hydrogen chloride (1/1)
- IUPAC
- 2-[2-[2-[2-(4-aminobenzoyl)oxyethoxy]ethoxy]ethoxy]ethyl-diethylazanium chloride
Names & synonyms
73698-76-7DTXSID1099456212-Ethyl-3,6,9-trioxa-12-azatetradecan-1-yl 4-aminobenzoate--hydrogen chloride (1/1)RefChem:1057426DTXCID301421595Benzoic acid, p-amino-, 2-(2-(2-(2-(diethylamino)ethoxy)ethoxy)ethoxy)ethyl ester, hydrochloride
Database identifiers
- CAS
73698-76-7- PubChem CID
- 52246
Properties
Computed structural properties
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 16
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 345
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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