Basic information
- CAS
100311-09-9- Standard SMILES
CCCCCOc1cc(N)ccc1C(=O)OCC[NH+](CC)CC.[Cl-]- InChIKey
LQXYIGKYIURAAX-UHFFFAOYSA-N- Molecular formula
- C18H31ClN2O3
- Average molar mass
- 358.9 g/mol
- Monoisotopic mass
- 358.2023205
Names & identifiers
- Preferred name
- Benzoic acid, 4-amino-2-pentyloxy-, 2-(diethylamino)ethyl ester, monohydrochloride
- IUPAC
- 2-(4-amino-2-pentoxybenzoyl)oxyethyl-diethylazanium chloride
Names & synonyms
100311-09-9Benzoic acid, 4-amino-2-pentyloxy-, 2-(diethylamino)ethyl ester, monohydrochlorideRefChem:10791534-Amino-2-pentyloxybenzoic acid 2-(diethylamino)ethyl ester hydrochlorideBenzoic acid,4-amino-2-(pentyloxy)-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)2-(4-amino-2-pentoxybenzoyl)oxyethyl-diethylazanium;chloride
Database identifiers
- CAS
100311-09-9- PubChem CID
- 57728
Properties
Computed structural properties
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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