Basic information
- CAS
100311-15-7- Standard SMILES
CCCOc1cc([NH3+])ccc1C(=O)OCCC[NH+]1CCCCC1.[Cl-].[Cl-]- InChIKey
FONMKNLITDGQCR-UHFFFAOYSA-N- Molecular formula
- C18H30Cl2N2O3
- Average molar mass
- 393.3 g/mol
- Monoisotopic mass
- 392.1633482
Names & identifiers
- Preferred name
- 3-(Piperidin-1-yl)propyl 4-amino-2-propoxybenzoate--hydrogen chloride (1/2)
- IUPAC
- [4-(3-piperidin-1-ium-1-ylpropoxycarbonyl)-3-propoxyphenyl]azanium dichloride
Names & synonyms
100311-15-7DTXSID809053673-(Piperidin-1-yl)propyl 4-amino-2-propoxybenzoate--hydrogen chloride (1/2)RefChem:1067219DTXCID401334470WIN 35914-Amino-2-propoxybenzoic acid 3-piperidinopropyl ester dihydrochlorideBENZOIC ACID, 4-AMINO-2-PROPOXY-, 3-PIPERIDINOPROPYL ESTER, DIHYDROCHLORIDE
Database identifiers
- CAS
100311-15-7- PubChem CID
- 57740
Properties
Computed structural properties
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 345
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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