Basic information
- CAS
100347-55-5- Standard SMILES
CCCC[NH2+]c1ccc(C(=O)OCCC[NH+]2CCCCC2)c(OCCC)c1.[Cl-].[Cl-]- InChIKey
VEQBJTZFBGPLMQ-UHFFFAOYSA-N- Molecular formula
- C22H38Cl2N2O3
- Average molar mass
- 449.5 g/mol
- Monoisotopic mass
- 448.2259485
Names & identifiers
- Preferred name
- 3-(Piperidin-1-yl)propyl 4-(butylamino)-2-propoxybenzoate--hydrogen chloride (1/2)
- IUPAC
- butyl-[4-(3-piperidin-1-ium-1-ylpropoxycarbonyl)-3-propoxyphenyl]azanium dichloride
Names & synonyms
100347-55-5DTXSID409054243-(Piperidin-1-yl)propyl 4-(butylamino)-2-propoxybenzoate--hydrogen chloride (1/2)RefChem:1067217DTXCID501334528WIN 34444-Butylamino-2-propoxybenzoic acid 3-piperidinopropyl ester dihydrochlorideBENZOIC ACID, 4-BUTYLAMINO-2-PROPOXY-, 3-PIPERIDINOPROPYL ESTER, DIHYDROCHLORIDE
Database identifiers
- CAS
100347-55-5- PubChem CID
- 57792
Properties
Computed structural properties
- Topological polar surface area
- 56.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 399
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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