Benzoic acid, 4-butoxy-, 2-(ethyl(2-hydroxyethyl)amino)ethyl ester, hydrochloride
Basic information
- CAS
78329-85-8- Standard SMILES
CCCCOc1ccc(C(=O)OCC[NH+](CC)CCO)cc1.[Cl-]- InChIKey
UQMXIJROEGDSEF-UHFFFAOYSA-N- Molecular formula
- C17H28ClNO4
- Average molar mass
- 345.9 g/mol
- Monoisotopic mass
- 345.1706861
Names & identifiers
- Preferred name
- Benzoic acid, 4-butoxy-, 2-(ethyl(2-hydroxyethyl)amino)ethyl ester, hydrochloride
- IUPAC
- 2-(4-butoxybenzoyl)oxyethyl-ethyl-(2-hydroxyethyl)azanium chloride
- English name
- beta-(N-Ethyl-N-beta-hydroxyethylamino)ethyl 4-n-butoxybenzoate hydroc hloride
- Molecular formula
- C17H27NO4.ClH
- Molecular weight
- 345.864
Names & synonyms
78329-85-8Benzoic acid, 4-butoxy-, 2-(ethyl(2-hydroxyethyl)amino)ethyl ester, hydrochlorideRefChem:1079158p-Butoxybenzoic acid 2-(ethyl(2-hydroxyethyl)amino)ethyl ester hydrochloride2-(N-Ethyl-N-(2-hydroxyethyl)amino)ethyl p-butoxybenzoate hydrochloridebeta-(N-Ethyl-N-beta-hydroxyethylamino)ethyl 4-n-butoxybenzoate hydrochloridebeta-(N-Ethyl-N-beta-hydroxyethylamino)ethyl 4-n-butoxybenzoate hydroc hloride
Database identifiers
- CAS
78329-85-8- PubChem CID
- 54175
Properties
Computed structural properties
- Topological polar surface area
- 60.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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