Basic information
- Standard SMILES
NCCCCCC(=O)[O-]- InChIKey
SLXKOJJOQWFEFD-UHFFFAOYSA-M- Molecular formula
- C6H12NO2-
- Average molar mass
- 130.16 g/mol
- Monoisotopic mass
- 130.08680363
Overview
6-aminohexanoate is an amino-acid anion that is the conjugate base of 6-aminohexanoic acid. It is functionally related to a hexanoate. It is a conjugate base of a 6-aminohexanoic acid and a 6-aminohexanoic acid zwitterion.
Names & identifiers
- Preferred name
- Amiocaproic acid
- IUPAC
- 6-aminohexanoate
Names & synonyms
72666-36-56-amino-n-caproic acidamiocaproic acidxi-Aminocaproic acidCHEBI:78395SLXKOJJOQWFEFD-UHFFFAOYSA-MQ27104216
Database identifiers
- PubChem CID
- 5460263
- ChEBI
CHEBI:32396
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 66.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- -1
- Complexity
- 77.6
Related reactions
5 records
Compound notes
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