Basic information
- CAS
94135-66-7- Standard SMILES
NCCNCCNCCNCCN.O=C([O-])CCCCCCCCCCC(=O)[O-].[Na+].[Na+]- InChIKey
QSSWIMJBPURJSE-UHFFFAOYSA-L- Molecular formula
- C20H43N5Na2O4
- Average molar mass
- 463.6 g/mol
- Monoisotopic mass
- 463.31104343
Names & identifiers
- Preferred name
- dodecanedioic acid, sodium salt, compound with N-(2-aminoethyl)-N'-(2-((2-aminoethyl)amino)ethyl)ethylenediamine
- IUPAC
- disodium;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;dodecanedioate
Names & synonyms
EINECS 302-936-894135-66-7Dodecanedioic acid, sodium salt, compound with N-(2-aminoethyl)-N'-(2-((2-aminoethyl)amino)ethyl)ethylenediamineDTXSID40240766Dodecanedioic acid, sodium salt, compound with N-(2-aminoethyl)-N'-[2-[(2-aminoethyl)amino]ethyl]ethylenediamineRefChem:135428DTXCID70163257302-936-8Sodium dodecanedioate--N~1~,N~1'~-[azanediyldi(ethane-2,1-diyl)]di(ethane-1,2-diamine) (2/1/1)
Database identifiers
- CAS
94135-66-7- PubChem CID
- 44154232
- DTXSID
DTXSID40240766- EC Number
- 302-936-8
Properties
Computed structural properties
- Topological polar surface area
- 168 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 19
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 247
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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