Carbamic acid, propyl-, diester with (2-butoxy-3-methoxyphenethyl)iminodiethanol, malonate, hydrate
Basic information
- CAS
72017-27-7- Standard SMILES
CCCCOc1c(CC[NH+](CCOC(=O)NCCC)CCOC(=O)NCCC)cccc1OC.O=C([O-])CC(=O)O- InChIKey
UEKQWLDUUOMZPZ-UHFFFAOYSA-N- Molecular formula
- C28H47N3O10
- Average molar mass
- 585.7 g/mol
- Monoisotopic mass
- 585.3261447
Names & identifiers
- Preferred name
- Carbamic acid, propyl-, diester with (2-butoxy-3-methoxyphenethyl)iminodiethanol, malonate, hydrate
- IUPAC
- 2-(2-butoxy-3-methoxyphenyl)ethyl-bis[2-(propylcarbamoyloxy)ethyl]azanium;3-hydroxy-3-oxopropanoate
Names & synonyms
72017-27-7Carbamic acid, propyl-, diester with (2-butoxy-3-methoxyphenethyl)iminodiethanol, malonate, hydrateDTXSID90222299Ethanol, 2,2'-(2-butoxy-3-methoxyphenethyl)iminodi-, bis(propylcarbamate), malonate hydrateRefChem:332736DTXCID401447902-(2-Butoxy-3-methoxyphenyl)-N,N-bis{2-[(propylcarbamoyl)oxy]ethyl}ethan-1-aminium carboxyacetate
Database identifiers
- CAS
72017-27-7- PubChem CID
- 51478
- DTXSID
DTXSID90222299
Properties
Computed structural properties
- Topological polar surface area
- 177 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 21
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 600
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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