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DL-4-Amino-3-hydroxybutanoic acid
CAS: 924-49-2 | C4H9NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
924-49-2
Molecular Formula:
C4H9NO3
Molecular Weight:
119.11999999999999 g/mol
Names and Synonyms:
DL-4-Amino-3-hydroxybutanoic acid
4-Amino-3-Hydroxybutanoic Acid
Butanoic acid, 4-amino-3-hydroxy-
Butyric acid, 4-amino-3-hydroxy-, DL-
Butanoic acid, 4-amino-3-hydroxy-, (±)-
Butyric acid, γ-amino-β-hydroxy-
4-Amino-3-hydroxybutanoic acid
DL-β-Hydroxy-γ-aminobutyric acid
DL-γ-Amino-β-hydroxybutyric acid
DL-3-Hydroxy-4-aminobutyric acid
(±)-3-Hydroxy-4-aminobutanoic acid
(RS)-γ-Amino-β-hydroxybutyric acid
(±)-4-Amino-3-hydroxybutanoic acid
(RS)-3-Hydroxy-γ-aminobutyric acid
DL-4-Amino-3-hydroxybutyric acid
(±)-β-Hydroxy-GABA
(RS)-4-Amino-3-hydroxybutanoic acid
(±)-4-Amino-3-hydroxybutyric acid
γ-Amino-β-hydroxybutyric acid
4-Amino-3-hydroxybutyric acid
Buxamine
GABOB
Gamibetal
Gaminal
3-Hydroxy-4-aminobutyric acid
β-Hydroxy-γ-aminobutyric acid
Buksamin
Gabomade
3-Hydroxy-GABA
Bogil
Idramina
Gabobe
Gaboril
β-Hydroxy-GABA
3-Hydroxy-4-aminobutanoic acid
NSC 40244
gamma-Amino-beta-hydroxybutyric acid
Identifiers:
SMILES:
NCC(O)CC(=O)O
InChI:
InChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 119.11999999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 119.058243148 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 83.55 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -1.2192999999999998 | RDKit |
| molecular_mass | 119.12 g/mol | Legacy Database |
| cas-canonical-smile | O=C(O)CC(O)CN None | Legacy Database |
| cas-inchi | InChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8) None | Legacy Database |
| cas-inchi-key | InChIKey=YQGDEPYYFWUPGO-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 214 °C None | Legacy Database |
| cas-name | 4-Amino-3-hydroxybutanoic acid None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 27.313999999999993 | RDKit |
