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Dl-Proline
CAS: 609-36-9 | C5H9NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
609-36-9
Molecular Formula:
C5H9NO2
Molecular Weight:
115.13200000000002 g/mol
Names and Synonyms:
Dl-Proline
2-Pyrrolidinylcarboxylic acid
NSC 97923
(RS)-Proline
DL-Pro
(±)-Proline
Proline, DL-
DL-Proline
Proline
Identifiers:
SMILES:
O=C(O)C1CCCN1
InChI:
InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(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 | 115.13200000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 115.063328528 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 | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 49.33 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.177 | RDKit |
| molecular_mass | 115.13 g/mol | Legacy Database |
| cas-canonical-smile | O=C(O)C1NCCC1 None | Legacy Database |
| cas-inchi | InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8) None | Legacy Database |
| cas-inchi-key | InChIKey=ONIBWKKTOPOVIA-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 205 °C None | Legacy Database |
| cas-name | DL-Proline None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 28.660499999999992 | RDKit |
