1-Hexanamine, 2-ethyl-N-(2-ethylhexyl)-, acetate (1:1)
Basic information
- CAS
50616-05-2- Standard SMILES
CC(=O)O.CCCCC(CC)CNCC(CC)CCCC- InChIKey
XLHHQQFCZDMGEW-UHFFFAOYSA-N- Molecular formula
- C18H39NO2
- Average molar mass
- 301.5 g/mol
- Monoisotopic mass
- 301.29807949
Names & identifiers
- Preferred name
- 1-Hexanamine, 2-ethyl-N-(2-ethylhexyl)-, acetate (1:1)
- IUPAC
- acetic acid;2-ethyl-N-(2-ethylhexyl)hexan-1-amine
Names & synonyms
1-Hexanamine, 2-ethyl-N-(2-ethylhexyl)-, acetate50616-05-2DTXSID408859141-Hexanamine, 2-ethyl-N-(2-ethylhexyl)-, acetate (1:1)RefChem:75906Acetic acid, di(2-ethylhexyl)amine saltDTXCID901025270SCHEMBL11239040Acetic acid--2-ethyl-N-(2-ethylhexyl)hexan-1-amine (1/1)
Database identifiers
- CAS
50616-05-2- PubChem CID
- 20834278
- DTXSID
DTXSID40885914
Properties
Computed structural properties
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 159
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Hexanamine, 2-ethyl-N-(2-ethylhexyl)-, acetate (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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