CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid |
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Melting Point | 194 - 196 °C |
Solubility | 19 mg/mL |
Collision Cross Section | 147.1 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)] |
COMPUTED DESCRIPTORS
Molecular Weight | 159.23 g/mol |
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XLogP3 | -0.5 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 6 |
Exact Mass | 159.125928785 g/mol |
Monoisotopic Mass | 159.125928785 g/mol |
Topological Polar Surface Area | 63.3 Ų |
Heavy Atom Count | 11 |
Formal Charge | 0 |
Complexity | 115 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 1 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
2-aminooctanoic acid is an alpha-amino fatty acid that is caprylic acid which is substituted at position 2 by an amino group. It has a role as a human metabolite. It is a conjugate base of a 1-carboxyheptan-1-aminium. It is a conjugate acid of a 2-aminooctanoate. It is a tautomer of a 2-aminooctanoic acid zwitterion.