Basic information
- CAS
100311-11-3- Standard SMILES
CCOC(=O)c1cc(N)ccc1OCCC[NH+]1CCCCC1.[Cl-]- InChIKey
LHHKNRDKDISVNO-UHFFFAOYSA-N- Molecular formula
- C17H27ClN2O3
- Average molar mass
- 342.9 g/mol
- Monoisotopic mass
- 342.1710204
Names & identifiers
- Preferred name
- Benzoic acid, 5-amino-2-(3-piperidinopropoxy)-, ethyl ester, monohydrochloride
- IUPAC
- ethyl 5-amino-2-(3-piperidin-1-ium-1-ylpropoxy)benzoate chloride
Names & synonyms
5-Amino-2-(3-piperidinopropoxy)benzoic acid ethyl ester hydrochloride100311-11-3BENZOIC ACID, 5-AMINO-2-(3-PIPERIDINOPROPOXY)-, ETHYL ESTER, MONOHYDROCHLORIDERefChem:327663
Database identifiers
- CAS
100311-11-3- PubChem CID
- 57732
Properties
Computed structural properties
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 332
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…