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Ammonium Lactate
CAS: 515-98-0 | C3H9NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
515-98-0
Molecular Formula:
C3H9NO3
Molecular Weight:
107.109 g/mol
Names and Synonyms:
Ammonium Lactate
(±)-Ammonium lactate
BMS 186091
Lac-Hydrin
W 1001-10
Ammonium 2-hydroxypropionate
Propanoic acid, 2-hydroxy-, monoammonium salt
Lactic acid, monoammonium salt
Ammonium lactate
Propanoic acid, 2-hydroxy-, ammonium salt (1:1)
Identifiers:
SMILES:
CC(O)C(=O)O.N
InChI:
InChI=1S/C3H6O3.H3N/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);1H3
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 | 107.109 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 107.058243148 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 3 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 | 92.53 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.38620000000000004 | RDKit |
| molecular_mass | 107.11 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Ammonium_lactate None | Legacy Database |
| cas-boiling-point | 74 °C @ Press: 0.14 Torr None | Legacy Database |
| cas-canonical-smile | O=C(O)C(O)C.N None | Legacy Database |
| cas-inchi | InChI=1S/C3H6O3.H3N/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=RZOBLYBZQXQGFY-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 91-94 °C None | Legacy Database |
| cas-name | Ammonium lactate None | Legacy Database |
| wikipedia-name | Ammonium lactate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 24.338700000000003 | RDKit |
