N,N-diethyl-2-[1-ethylsulfanyl-3-(2-methylphenoxy)propan-2-yl]oxyethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
Basic information
- CAS
5422-59-3- Standard SMILES
CCSCC(COc1ccccc1C)OCCN(CC)CC.O=C(O)CC(O)(CC(=O)O)C(=O)O- InChIKey
OAYCOTXBNCZKAA-UHFFFAOYSA-N- Molecular formula
- C24H39NO9S
- Average molar mass
- 517.6 g/mol
- Monoisotopic mass
- 517.234553
Names & identifiers
- Preferred name
- N,N-diethyl-2-[1-ethylsulfanyl-3-(2-methylphenoxy)propan-2-yl]oxyethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
- IUPAC
- N,N-diethyl-2-[1-ethylsulfanyl-3-(2-methylphenoxy)propan-2-yl]oxyethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
Names & synonyms
NSC119475422-59-3NSC-11947
Database identifiers
- CAS
5422-59-3- PubChem CID
- 223876
Properties
Computed structural properties
- Topological polar surface area
- 179 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 17
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 489
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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