Basic information
- CAS
27467-08-9- Standard SMILES
CC[NH+](CC)C(COC(=O)Nc1ccccc1)COC(=O)Nc1ccccc1.Cc1ccc(S(=O)(=O)[O-])cc1- InChIKey
HHOYPVOUYAPXAY-UHFFFAOYSA-N- Molecular formula
- C28H35N3O7S
- Average molar mass
- 557.7 g/mol
- Monoisotopic mass
- 557.21957164
Names & identifiers
- Preferred name
- Carbanilic acid, 2-(diethylamino)trimethylene ester, tosylate
- IUPAC
- 1,3-bis(phenylcarbamoyloxy)propan-2-yl-diethylazanium;4-methylbenzenesulfonate
Names & synonyms
2-(Diethylamino)trimethylene carbanilate tosylateCARBANILIC ACID, 2-(DIETHYLAMINO)TRIMETHYLENE ESTER, TOSYLATE27467-08-91,3-Propanediol, 2-(diethylamino)-, dicarbanilate, tosylateDTXSID40181887RefChem:332935DTXCID80104378N,N-Diethyl-1,3-bis[(phenylcarbamoyl)oxy]propan-2-aminium 4-methylbenzene-1-sulfonate
Database identifiers
- CAS
27467-08-9- PubChem CID
- 33877
- DTXSID
DTXSID40181887
Properties
Computed structural properties
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 616
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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