Basic information
- CAS
100811-76-5- Standard SMILES
CCCCOc1cc([NH3+])ccc1C(=O)OCC[NH+](C)C.[Cl-].[Cl-]- InChIKey
OUFWZQGHNWSHSM-UHFFFAOYSA-N- Molecular formula
- C15H26Cl2N2O3
- Average molar mass
- 353.3 g/mol
- Monoisotopic mass
- 352.1320481
Names & identifiers
- Preferred name
- 2-(Dimethylamino)ethyl 4-amino-2-butoxybenzoate--hydrogen chloride (1/2)
- IUPAC
- 2-(4-azaniumyl-2-butoxybenzoyl)oxyethyl-dimethylazanium dichloride
Names & synonyms
DTXSID109057542-(Dimethylamino)ethyl 4-amino-2-butoxybenzoate--hydrogen chloride (1/2)RefChem:1061792DTXCID701334855100811-76-5WIN 41034-Amino-2-butoxy-benzoic acid 2-(dimethylamino)ethyl ester dihydrochlorideBENZOIC ACID, 4-AMINO-2-BUTOXY-, 2-(DIMETHYLAMINO)ETHYL ESTER, DIHYDROCHLORIDE
Database identifiers
- CAS
100811-76-5- PubChem CID
- 58012
Properties
Computed structural properties
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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