Basic information
- CAS
72017-46-0- Standard SMILES
CCCCOc1c(CC[NH+](CCOC(=O)NCC)CCOC(=O)NCC)cccc1OC.O=C([O-])CC(=O)O- InChIKey
IXRMYBPDLSLADK-UHFFFAOYSA-N- Molecular formula
- C26H43N3O10
- Average molar mass
- 557.6 g/mol
- Monoisotopic mass
- 557.29484458
Names & identifiers
- Preferred name
- Carbamic acid, ethyl-, diester with (2-butoxy-3-methoxyphenethyl)iminodiethanol, malonate, hydrate
- IUPAC
- 2-(2-butoxy-3-methoxyphenyl)ethyl-bis[2-(ethylcarbamoyloxy)ethyl]azanium;3-hydroxy-3-oxopropanoate
Names & synonyms
Carbamic acid, ethyl-, diester with (2-butoxy-3-methoxyphenethyl)iminodiethanol, malonate, hydrate72017-46-0DTXSID00222301Ethanol, 2,2'-(2-butoxy-3-methoxyphenethyl)iminodi-, bis(ethylcarbamate), malonate hydrateRefChem:332436DTXCID601447922-(2-Butoxy-3-methoxyphenyl)-N,N-bis{2-[(ethylcarbamoyl)oxy]ethyl}ethan-1-aminium carboxyacetate
Database identifiers
- CAS
72017-46-0- PubChem CID
- 51486
- DTXSID
DTXSID00222301
Properties
Computed structural properties
- Topological polar surface area
- 177 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 19
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 574
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…