Basic information
- Standard SMILES
NCCCCCCCC(=O)O- InChIKey
UQXNEWQGGVUVQA-UHFFFAOYSA-N- Molecular formula
- C8H17NO2
- Average molar mass
- 159.23 g/mol
- Monoisotopic mass
- 159.12592878
Overview
8-aminooctanoic acid is an -amino fatty acid that is octanoic acid which carries an amino group at position 8. It has a role as a human metabolite. It is a medium-chain fatty acid and an omega-amino fatty acid.
Names & identifiers
- Preferred name
- 8-Aminooctanoic acid
- IUPAC
- 8-aminooctanoic acid
Names & synonyms
8-Aminooctanoic acid1002-57-9Octanoic acid, 8-amino-omega-Aminocaprylic acidomega-ACX8H8HFT75VDTXSID00143007CHEBI:143265NSC-59019RefChem:106909DTXCID4065498213-687-9
Show more names
8-Aminocaprylic acid8-Amino caprylic acidMFCD000082458-amino capylic acid8-Amino-octanoic acid.omega.-Aminocaprylic acidH-AOC(8)-OH8-Aminooctanoic acid #
Database identifiers
- CAS
1002-57-9- PubChem CID
- 66085
- DTXSID
DTXSID00143007- ChEMBL
CHEMBL196105- ChEBI
CHEBI:143265- UNII
- X8H8HFT75V
- EC Number
- 213-687-9
- Nikkaji
- J13.528C
Properties
Computed structural properties
- XLogP
- -2.6
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 104
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Amino fatty acids [FA0110]
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 42.9% (3 of 7) of reports.
Warning
H315 (57.1%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (57.1%)
Related reactions
46 records
Linked notes
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