Diethylammonium (S)-2-(4-chloro-2-methylphenoxy)propionate

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Basic information

CAS: 97233-28-8
Standard SMILES: CCNCC.Cc1cc(Cl)ccc1O[C@@H](C)C(=O)O
InChIKey: YWWMOSBBXLVHSK-FJXQXJEOSA-N
Molecular formula: C14H22ClNO3
Average molar mass: 287.78 g/mol
Monoisotopic mass: 287.1288213

Names & identifiers

Preferred name: Diethylammonium (S)-2-(4-chloro-2-methylphenoxy)propionate
IUPAC: (2S)-2-(4-chloro-2-methylphenoxy)propanoic acid;N-ethylethanamine

Names & synonyms

97233-28-8EINECS 306-419-8Diethylammonium (S)-2-(4-chloro-2-methylphenoxy)propionateDTXSID70914044YWWMOSBBXLVHSK-FJXQXJEOSA-N(2S)-2-(4-Chloro-2-methylphenoxy)propanoic acid--N-ethylethanamine (1/1)2-(4-Chloro-2-methylphenoxy)propanoic acid--N-ethylethanamine (1/1)

Database identifiers

CAS: 97233-28-8
PubChem CID: 44145263
DTXSID: DTXSID70914044
EC Number: 306-419-8

Properties

Computed structural properties

Topological polar surface area: 58.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 19
Formal charge: 0
Complexity: 219

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Compound notes

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