Basic information
- CAS
53404-23-2- Standard SMILES
O=C(O)COc1ccc(Cl)cc1.OCCNCCO- InChIKey
WVWKBBSRDNKDIX-UHFFFAOYSA-N- Molecular formula
- C12H18ClNO5
- Average molar mass
- 291.73 g/mol
- Monoisotopic mass
- 291.0873504
Names & identifiers
- Preferred name
- Acetic acid, (4-chlorophenoxy)-, compd. with 2,2'-iminobis(ethanol) (1:1)
- IUPAC
- 2-(4-chlorophenoxy)acetic acid;2-(2-hydroxyethylamino)ethanol
Names & synonyms
4-Chlorophenoxyacetic acid diethanolamine salt53404-23-2J8D8A92Y72Ethanol, 2,2'-iminobis-, (4-chlorophenoxy)acetate (salt)DTXSID2068848RefChem:1075617DTXCID6041424258-526-3Diethanolamine 4-chlorophenoxyacetateEINECS 258-526-3UNII-J8D8A92Y724-CPA-diolamine
Show more names
(p-Chlorophenoxy)acetic acid, compound with 2,2'-iminodiethanol (1:1)SCHEMBL28105729WVWKBBSRDNKDIX-UHFFFAOYSA-Nbis(2-hydroxyethyl)ammonium (4-chlorophenoxy)acetateQ27281345(4-chlorophenoxy)acetic acid - 2,2'-iminodiethanol (1:1)(4-Chlorophenoxy)acetic acid--2,2'-azanediyldi(ethan-1-ol) (1/1)Ethanol, 2,2'-iminodi-, compd. with (p-chlorophenoxy)acetic acid
Database identifiers
- CAS
53404-23-2- PubChem CID
- 62032
- DTXSID
DTXSID2068848- UNII
- J8D8A92Y72
- EC Number
- 258-526-3
Properties
Computed structural properties
- Topological polar surface area
- 99 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 181
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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