Basic information
- CAS
15590-60-0- Standard SMILES
CCCCC(CC)C(=O)O.N- InChIKey
JQQFHYGWOCWHFI-UHFFFAOYSA-N- Molecular formula
- C8H19NO2
- Average molar mass
- 161.24 g/mol
- Monoisotopic mass
- 161.14157885
Names & identifiers
- Preferred name
- Ammonium 2-ethylhexanoate
- IUPAC
- azane;2-ethylhexanoic acid
Names & synonyms
Ammonium 2-ethylhexanoate15590-60-0EINECS 239-655-4RefChem:112129239-655-4azane;2-ethylhexanoic acidSCHEMBL467195DTXSID509353182-Ethylhexanoic acid--ammonia (1/1)
Database identifiers
- CAS
15590-60-0- PubChem CID
- 85876
- DTXSID
DTXSID50935318- EC Number
- 239-655-4
Properties
Computed structural properties
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 99.4
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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