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2187-07-7

2187-07-7 structural image
Product Name: DL-2-AMINOOCTANOIC ACID
Formula: C8H17NO2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
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
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.