Basic information
- CAS
63978-52-9- Standard SMILES
CCCCCc1ccccc1OCCN(CC)CCCl- InChIKey
RCOPLMJUORIMGQ-UHFFFAOYSA-N- Molecular formula
- C17H28ClNO
- Average molar mass
- 297.9 g/mol
- Monoisotopic mass
- 297.1859422
Names & identifiers
- Preferred name
- Triethylamine, 2-chloro-2'-(o-pentylphenoxy)-
- IUPAC
- N-(2-chloroethyl)-N-ethyl-2-(2-pentylphenoxy)ethanamine
Names & synonyms
2-Amylphenoxyethylethyl-beta-chloroethylamineTriethylamine, 2-chloro-2'-(o-pentylphenoxy)-63978-52-9DTXSID60213816RefChem:386228DTXCID901363072-Chloro-N-ethyl-N-[2-(2-pentylphenoxy)ethyl]ethan-1-amine
Database identifiers
- CAS
63978-52-9- PubChem CID
- 45355
- DTXSID
DTXSID60213816
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 225
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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