9,12-Octadecadienoic acid (9Z,12Z)-, dimer, compd. with N1,N2-bis(2-aminoethyl)-1,2-ethanediamine (1:?)
Basic information
- CAS
68540-48-7- Standard SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.NCCNCCNCCN- InChIKey
VVSVGTPEKSMXHF-GRVYQHKQSA-N- Molecular formula
- C42H82N4O4
- Average molar mass
- 707.1 g/mol
- Monoisotopic mass
- 706.63360711
Names & identifiers
- Preferred name
- 9,12-Octadecadienoic acid (9Z,12Z)-, dimer, compd. with N1,N2-bis(2-aminoethyl)-1,2-ethanediamine (1:?)
- IUPAC
- N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;bis((9Z,12Z)-octadeca-9,12-dienoic acid)
Names & synonyms
Triethylenetetramine, linoleic dimer acid saltEINECS 271-306-168540-48-7RefChem:107567(9Z,12Z)-Octadeca-9,12-dienoic acid, dimer, compound with N,N'-bis(2-aminoethyl)ethane-1,2-diamine
Database identifiers
- CAS
68540-48-7- PubChem CID
- 6441129
- EC Number
- 271-306-1
Properties
Computed structural properties
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 35
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 316
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 9,12-Octadecadienoic acid, (Z,Z)-, dimer, compound with N,N'-bis(2-aminoethyl)-1,2-ethanediamine
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9,12-Octadecadienoic acid (9Z,12Z)-, dimer, compd. with N1,N2-bis(2-aminoethyl)-1,2-ethanediamine (1:?): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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