3-Aminooctanoic acid
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3-Aminooctanoic acid
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CAS No:
104883-49-0
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Formula:
C8H17NO2
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Chemical Name:
3-Aminooctanoic acid
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Synonyms:
Octanoic acid,3-amino-;Octanoic acid,3-amino-,(±)-;Caprylic acid,β-amino-;3-Aminooctanoic acid;101257-45-8
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CAS No:
Description
3-aminooctanoic acid is a beta-amino acid that is caprylic acid which is substituted by an amino group at position 3. It has a role as a metabolite. It is a beta-amino acid and a beta-amino-fatty acid. It derives from an octanoic acid.
Characteristics
63.3
1.62
1.0±0.1 g/cm3
204-206 °C (decomp) @ Solvent: Ethanol
273.2±23.0 °C at 760 mmHg
119.0±22.6 °C
1.467
3-Aminooctanoic acid Use and Manufacturing
Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Amino fatty acids [FA0110]
Computed Properties
Molecular Weight:159.23
XLogP3:-1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:159.125928785
Monoisotopic Mass:159.125928785
Topological Polar Surface Area:63.3
Heavy Atom Count:11
Complexity:115
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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