Ethyl 4-(3-pyrrolidinyloxy)benzoate hydrochloride
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Basic information
- CAS
1220036-41-8- Standard SMILES
CCOC(=O)c1ccc(OC2CCNC2)cc1.Cl- InChIKey
OEAFGWMSZRMXJW-UHFFFAOYSA-N- Molecular formula
- C13H18ClNO3
- Average molar mass
- 271.74 g/mol
- Monoisotopic mass
- 271.0975211
Names & identifiers
- Preferred name
- Ethyl 4-(3-pyrrolidinyloxy)benzoate hydrochloride
- IUPAC
- ethyl 4-pyrrolidin-3-yloxybenzoate;hydrochloride
- English name
- Ethyl 4-(3-pyrrolidinyloxy)benzoate hydrochloride
- Molecular formula
- C13H18ClNO3
- Molecular weight
- 271.74
Names & synonyms
1220036-41-8Ethyl 4-(3-pyrrolidinyloxy)benzoate hydrochlorideethyl 4-(pyrrolidin-3-yloxy)benzoate hydrochlorideethyl 4-pyrrolidin-3-yloxybenzoate;hydrochlorideAKOS015848120ethyl4-(pyrrolidin-3-yloxy)benzoatehydrochloride
Database identifiers
- CAS
1220036-41-8- PubChem CID
- 56830941
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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