Back to Search
5-Aminovaleric Acid
CAS: 660-88-8 | C5H11NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
660-88-8
Molecular Formula:
C5H11NO2
Molecular Weight:
117.14799999999998 g/mol
Names and Synonyms:
5-Aminovaleric Acid
Pentanoic acid, 5-amino-
Valeric acid, 5-amino-
5-Aminopentanoic acid
δ-Aminovaleric acid
5-Aminovaleric acid
δ-Amino-n-valeric acid
ω-Aminopentanoic acid
DAVA
δ-Aminopentanoic acid
5-Amino-n-valeric acid
ω-Aminovaleric acid
NSC 58383
NSC 73123
Aminovaleric acid
Identifiers:
SMILES:
NCCCCC(=O)O
InChI:
InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 117.15 g/mol | Legacy Database |
| cas-canonical-smile | O=C(O)CCCCN None | Legacy Database |
| cas-inchi | InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8) None | Legacy Database |
| cas-inchi-key | InChIKey=JJMDCOVWQOJGCB-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 157.5 °C (decomp) None | Legacy Database |
| cas-name | 5-Aminovaleric acid None | Legacy Database |
| LogP | 0.20000000000000012 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 117.14799999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 117.078978592 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 63.32000000000001 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 30.54119999999999 | RDKit |
