Salicylic acid, 4-(2-(isopropylamino)acetamido)-, 2-diethylaminoethyl ester, dihydrochloride
Basic information
- CAS
14028-20-7- Standard SMILES
CCN(CC)CCOC(=O)c1ccc(NC(=O)CNC(C)C)cc1O.Cl.Cl- InChIKey
ZWIRJWWYUHAEFX-UHFFFAOYSA-N- Molecular formula
- C18H31Cl2N3O4
- Average molar mass
- 424.4 g/mol
- Monoisotopic mass
- 423.1691619
Names & identifiers
- Preferred name
- Salicylic acid, 4-(2-(isopropylamino)acetamido)-, 2-diethylaminoethyl ester, dihydrochloride
- IUPAC
- 2-(diethylamino)ethyl 2-hydroxy-4-[[2-(propan-2-ylamino)acetyl]amino]benzoate;dihydrochloride
Names & synonyms
Salicylic acid, 4-(2-(isopropylamino)acetamido)-, 2-diethylaminoethyl ester, dihydrochloride14028-20-7DTXSID301612992-(Diethylaminoethyl) 4-(2-(isopropylamino)acetylamino)salicylate, dihydrochlorideRefChem:379803DTXCID10837902-(Diethylamino)ethyl 2-hydroxy-4-{[N-(propan-2-yl)glycyl]amino}benzoate--hydrogen chloride (1/2)
Database identifiers
- CAS
14028-20-7- PubChem CID
- 203191
- DTXSID
DTXSID30161299
Properties
Computed structural properties
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 413
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Compound notes
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