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GABA

CAT: 0024-sc-203053BSize: 5 KgDry Ice: NoHazardous: No
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CAT#:0024-sc-203053BSize:5 Kg
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CAS Number
56-12-2

Chemical Information

Gamma-Aminobutyric Acid

Gamma-aminobutyric acid is a gamma-amino acid that is butanoic acid with the amino substituent located at C-4. It has a role as a neurotransmitter, a signalling molecule, a Saccharomyces cerevisiae metabolite and a human metabolite. It is a monocarboxylic acid and a gamma-amino acid. It is functionally related to a butyric acid. It is a conjugate acid of a gamma-aminobutyrate. It is a tautomer of a gamma-aminobutyric acid zwitterion.

CAS Number56-12-2
PubChem CID119
IUPAC Name4-aminobutanoic acid
Molecular FormulaC4H9NO2
Molecular Weight103.12
XLogP-3.2
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count7
Formal Charge0
Complexity62
SMILES
C(CC(=O)O)CN
InChI
InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
InChIKey
BTCSSZJGUNDROE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Gamma-Aminobutyric Acid
CAS: 56-12-2
CID: 119
Formula: C4H9NO2
MW: 103.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight103.12
XLogP3-3.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass103.063328530
Monoisotopic Mass103.063328530
Topological Polar Surface Area63.3 Ų
Heavy Atom Count7
Formal Charge0
Complexity62.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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