Basic information
- CAS
42055-01-6- Standard SMILES
CC[NH+](CCCCCCCl)CCOc1c(C)cccc1C.O=C([O-])C(=O)O- InChIKey
GTQTWHIXNAHIAU-UHFFFAOYSA-N- Molecular formula
- C20H32ClNO5
- Average molar mass
- 401.9 g/mol
- Monoisotopic mass
- 401.1969008
Names & identifiers
- Preferred name
- 1-Hexylamine, 6-chloro-N-ethyl-N-(2-(2,6-xylyloxy)ethyl)-, oxalate
- IUPAC
- 6-chlorohexyl-[2-(2,6-dimethylphenoxy)ethyl]-ethylazanium;2-hydroxy-2-oxoacetate
Names & synonyms
42055-01-61-HEXYLAMINE, 6-CHLORO-N-ETHYL-N-(2-(2,6-XYLYLOXY)ETHYL)-, OXALATERefChem:10555596-Chloro-N-ethyl-N-(2-(2,6-xylyloxy)ethyl)-1-hexylamine oxalate6-chlorohexyl-[2-(2,6-dimethylphenoxy)ethyl]-ethylazanium;2-hydroxy-2-oxoacetate
Database identifiers
- CAS
42055-01-6- PubChem CID
- 39127
Properties
Computed structural properties
- Topological polar surface area
- 91.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 317
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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