Basic information
- CAS
100311-23-7- Standard SMILES
CCCC[NH2+]c1ccc(C(=O)OCCC[NH+]2CCCCC2)c(OCC)c1.[Cl-].[Cl-]- InChIKey
IIAZLESTLKPXMW-UHFFFAOYSA-N- Molecular formula
- C21H36Cl2N2O3
- Average molar mass
- 435.4 g/mol
- Monoisotopic mass
- 434.2102984
Names & identifiers
- Preferred name
- 3-(Piperidin-1-yl)propyl 4-(butylamino)-2-ethoxybenzoate--hydrogen chloride (1/2)
- IUPAC
- butyl-[3-ethoxy-4-(3-piperidin-1-ium-1-ylpropoxycarbonyl)phenyl]azanium dichloride
Names & synonyms
100311-23-7DTXSID109053703-(Piperidin-1-yl)propyl 4-(butylamino)-2-ethoxybenzoate--hydrogen chloride (1/2)RefChem:1067216DTXCID501334473WIN 35484-Butylamino-2-ethoxy-benzoic acid 3-piperidinopropyl ester dihydrochlorideBENZOIC ACID, 4-BUTYLAMINO-2-ETHOXY-, 3-PIPERIDINOPROPYL ESTER, DIHYDROCHLORIDE
Database identifiers
- CAS
100311-23-7- PubChem CID
- 57750
Properties
Computed structural properties
- Topological polar surface area
- 56.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 385
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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