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(+)-Α-Aminobutyric Acid
CAS: 1492-24-6 | C4H9NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1492-24-6
Molecular Formula:
C4H9NO2
Molecular Weight:
103.12099999999998 g/mol
Names and Synonyms:
(+)-Α-Aminobutyric Acid
Aminobutyric acid, 2-
L-Homoalanine
(+)-2-Aminobutanoic acid
NSC 97060
(+)-α-Aminobutyric acid
(+)-2-Aminobutyric acid
2-Aminobutyric acid
L-Ethylglycine
(S)-2-Aminobutanoic acid
L-2-Aminobutanoic acid
L-2-Amino-n-butyric acid
S-Butyrine
(S)-(+)-α-Aminobutyric acid
(S)-2-Aminobutyric acid
L-2-Aminobutyric acid
L-Butyrine
L-α-Aminobutyric acid
L-α-Amino-n-butyric acid
(2S)-2-Aminobutanoic acid
Butanoic acid, 2-amino-, (S)-
Butyric acid, 2-amino-, L-
Butanoic acid, 2-amino-, (2S)-
Identifiers:
SMILES:
CC[C@H](N)C(=O)O
InChI:
InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
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 | 103.12099999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 103.063328528 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 63.32000000000001 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.19169999999999998 | RDKit |
| molecular_mass | 103.12 g/mol | Legacy Database |
| cas-canonical-smile | O=C(O)C(N)CC None | Legacy Database |
| cas-inchi | InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1 None | Legacy Database |
| cas-inchi-key | InChIKey=QWCKQJZIFLGMSD-VKHMYHEASA-N None | Legacy Database |
| cas-melting-point | 270-280 °C None | Legacy Database |
| cas-name | (+)-α-Aminobutyric acid None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 25.902199999999997 | RDKit |
