Basic information
- CAS
4126-70-9- Standard SMILES
[Cl-].[Cl-].[NH3+]CCOC(=O)/C=C\C(=O)OCC[NH3+]- InChIKey
HKVQFEGQRZMCOC-UAIGNFCESA-N- Molecular formula
- C8H16Cl2N2O4
- Average molar mass
- 275.13 g/mol
- Monoisotopic mass
- 274.0487124
Names & identifiers
- Preferred name
- Fumaric acid, bis(2-aminoethyl) ester, dihydrochloride
- IUPAC
- 2-[(Z)-4-(2-azaniumylethoxy)-4-oxobut-2-enoyl]oxyethylazanium dichloride
Names & synonyms
4126-70-9FUMARIC ACID, BIS(2-AMINOETHYL) ESTER, DIHYDROCHLORIDERefChem:1085580Bis(2-aminoethyl)fumarate dihydrochlorideDTXSID701350455
Database identifiers
- CAS
4126-70-9- PubChem CID
- 6433397
- DTXSID
DTXSID701350455
Properties
Computed structural properties
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 193
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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