Benzoic acid, 4-amino-2-(hexyloxy)thio-, S-(2-(diethylamino)ethyl)ester, monohydrochloride
Basic information
- CAS
4607-43-6- Standard SMILES
CCCCCCOc1cc(N)ccc1C(=O)SCC[NH+](CC)CC.[Cl-]- InChIKey
MVFKZFKXHGCAQR-UHFFFAOYSA-N- Molecular formula
- C19H33ClN2O2S
- Average molar mass
- 389 g/mol
- Monoisotopic mass
- 388.1951272
Names & identifiers
- Preferred name
- Benzoic acid, 4-amino-2-(hexyloxy)thio-, S-(2-(diethylamino)ethyl)ester, monohydrochloride
- IUPAC
- 2-(4-amino-2-hexoxybenzoyl)sulfanylethyl-diethylazanium chloride
Names & synonyms
WIN 45104607-43-64-Amino-2-(hexyloxy)thiobenzoic acid S-(2-(diethylamino)ethyl) ester hydrochlorideBenzoic acid, 4-amino-2-(hexyloxy)thio-, S-(2-(diethylamino)ethyl)ester, monohydrochlorideRefChem:327513
Database identifiers
- CAS
4607-43-6- PubChem CID
- 20731
Properties
Computed structural properties
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 337
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…