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Γ-Aminobutyric Acid
CAS: 56-12-2 | C4H9NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
56-12-2
Molecular Formula:
C4H9NO2
Molecular Mass:
103.12 g/mol
Names and Synonyms:
Γ-Aminobutyric Acid
Butanoic acid, 4-amino-
Butyric acid, 4-amino-
4-Aminobutanoic acid
γ-Aminobutyric acid
GABA
Gamma-aminobutyric acid
4-Aminobutyric acid
Piperidinic acid
Piperidic acid
Gammalon
Gamarex
Gammalone
Gammasol
Mielogen
Mielomade
Gaballon
Gammar
γ-Aminobutanoic acid
Aminalon
ω-Aminobutyric acid
3-Carboxypropylamine
NSC 27418
NSC 32044
NSC 45460
NSC 51295
Pharmagaba
Pharmagaba 20
Pharmagaba 20D
Pharma-GABA 20S
Oryza GABA Extract HC 90
Pharma GABA 30L
Lacto Gaban
1: PN: TWI669392 SEQID: 1 claimed sequence
Identifiers:
SMILES:
NCCCC(=O)O
InChI:
InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
Key Properties
Melting Point
203 °C (decomp)
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 103.12 g/mol | CAS Common Chemistry |
| 103.12099999999998 g/mol | RDKit | |
| 103.063328528 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/%CE%93-Aminobutyric_acid | CAS Common Chemistry |
| Canonical SMILES | O=C(O)CCCN | CAS Common Chemistry |
| InChI | InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7) | CAS Common Chemistry |
| InChI Key | InChIKey=BTCSSZJGUNDROE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 203 °C (decomp) | CAS Common Chemistry |
| Name | γ-Aminobutyric acid | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 63.32000000000001 Ų | RDKit |
| LogP | -0.19009999999999977 | RDKit |
| Molar Refractivity | 25.924199999999995 | RDKit |
