1-Pentylamine, 5-chloro-N-ethyl-N-(2-(2,6-xylyloxy)ethyl)-, oxalate
Basic information
- CAS
42054-99-9- Standard SMILES
CCN(CCCCCCl)CCOc1c(C)cccc1C.O=C(O)C(=O)O- InChIKey
YLAFDCGNUWUPTH-UHFFFAOYSA-N- Molecular formula
- C19H30ClNO5
- Average molar mass
- 387.9 g/mol
- Monoisotopic mass
- 387.1812508
Names & identifiers
- Preferred name
- 1-Pentylamine, 5-chloro-N-ethyl-N-(2-(2,6-xylyloxy)ethyl)-, oxalate
- IUPAC
- 5-chloro-N-[2-(2,6-dimethylphenoxy)ethyl]-N-ethylpentan-1-amine;oxalic acid
Names & synonyms
42054-99-95-Chloro-N-ethyl-N-(2-(2,6-xylyloxy)ethyl)-1-pentylamine oxalate1-Pentylamine, 5-chloro-N-ethyl-N-(2-(2,6-xylyloxy)ethyl)-, oxalateDTXSID20194874N-(5-Chloropentyl)-N-(2-(2,6-dimethylphenoxy)ethyl)ethylamine oxalateRefChem:232989DTXCID60117365Oxalic acid--5-chloro-N-[2-(2,6-dimethylphenoxy)ethyl]-N-ethylpentan-1-amine (1/1)
Database identifiers
- CAS
42054-99-9- PubChem CID
- 3039005
- DTXSID
DTXSID20194874
Properties
Computed structural properties
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 299
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Compound notes
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