Basic information
- CAS
100311-29-3- Standard SMILES
CCCC[NH2+]c1ccc(C(=O)OCC[NH+](CC)CC)c(OCCC)c1.[Cl-].[Cl-]- InChIKey
BCOBSUBQDWIJDC-UHFFFAOYSA-N- Molecular formula
- C20H36Cl2N2O3
- Average molar mass
- 423.4 g/mol
- Monoisotopic mass
- 422.2102984
Names & identifiers
- Preferred name
- 2-(Diethylamino)ethyl 4-(butylamino)-2-propoxybenzoate--hydrogen chloride (1/2)
- IUPAC
- 2-[4-(butylazaniumyl)-2-propoxybenzoyl]oxyethyl-diethylazanium dichloride
Names & synonyms
100311-29-3DTXSID509053742-(Diethylamino)ethyl 4-(butylamino)-2-propoxybenzoate--hydrogen chloride (1/2)RefChem:1061677DTXCID301334477WIN 35784-Butylamino-2-propoxy-benzoic acid 2-(diethylamino)ethyl ester dihydrochlorideBenzoic acid, 4-butylamino-2-propoxy-, 2-(diethylamino)ethyl ester, dihydrochloride
Database identifiers
- CAS
100311-29-3- PubChem CID
- 57760
Properties
Computed structural properties
- Topological polar surface area
- 56.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 14
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 348
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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