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Basic information
- CAS
20545-86-2- Standard SMILES
CCCCCOc1ccc(C(=O)OCC[NH+](CC)CC)cc1.[Cl-]- InChIKey
SYGBDNSDXWYOMX-UHFFFAOYSA-N- Molecular formula
- C18H30ClNO3
- Average molar mass
- 343.9 g/mol
- Monoisotopic mass
- 343.1914215
Names & identifiers
- Preferred name
- Benzoic acid, p-pentyloxy-, 2-diethylaminoethyl ester, hydrochloride
- IUPAC
- diethyl-[2-(4-pentoxybenzoyl)oxyethyl]azanium chloride
Names & synonyms
BENZOIC ACID, p-PENTYLOXY-, 2-DIETHYLAMINOETHYL ESTER, HYDROCHLORIDE20545-86-2RefChem:1079326p-Pentyloxybenzoic acid 2-diethylaminoethyl ester hydrochloride
Database identifiers
- CAS
20545-86-2- PubChem CID
- 30179
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
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Compound notes
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