Basic information
- CAS
27585-48-4- Standard SMILES
CCNC(=O)OCC[NH+](C)CCOC(=O)NCC.Cc1ccc(S(=O)(=O)[O-])cc1- InChIKey
ANJJLFKECBZIPC-UHFFFAOYSA-N- Molecular formula
- C18H31N3O7S
- Average molar mass
- 433.5 g/mol
- Monoisotopic mass
- 433.18827151
Names & identifiers
- Preferred name
- Carbamic acid, ethyl-, diester with methyliminodiethanol, tosylate
- IUPAC
- bis[2-(ethylcarbamoyloxy)ethyl]-methylazanium;4-methylbenzenesulfonate
Names & synonyms
CARBAMIC ACID, ETHYL-, DIESTER with METHYLIMINODIETHANOL, TOSYLATE27585-48-4Ethanol, 2,2'-(methylimino)di-, bis(ethylcarbamate), tosylateDTXSID60181985RefChem:332437DTXCID001044762-[(Ethylcarbamoyl)oxy]-N-{2-[(ethylcarbamoyl)oxy]ethyl}-N-methylethan-1-aminium 4-methylbenzene-1-sulfonate
Database identifiers
- CAS
27585-48-4- PubChem CID
- 33951
- DTXSID
DTXSID60181985
Properties
Computed structural properties
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 417
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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