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2835-82-7

2835-82-7 structural image
Product Name: DL-3-Aminobutyric acid
Formula: C4H9NO2
Synonyms: (±)-3-Aminobutyric acid;DL-3-Aminobutyric acid
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 193.0 °C
Solubility 1000 mg/mL at 25 °C

COMPUTED DESCRIPTORS

Molecular Weight 103.12 g/mol
XLogP3 -3.1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 103.063328530 g/mol
Monoisotopic Mass 103.063328530 g/mol
Topological Polar Surface Area 63.3 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 72.1
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

3-aminobutanoic acid is a beta-amino acid that is butyric 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 monocarboxylic acid. It is functionally related to a butyric acid. It is a conjugate acid of a 3-aminobutyrate. It is a tautomer of a 3-aminobutanoic acid zwitterion.