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Molecule
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 Mass
- 107.11 g/mol
Identifiers
CAS Registry Number
515-98-0
SMILES
CC(O)C(=O)O.N
InChI Key
RZOBLYBZQXQGFY-UHFFFAOYSA-N
InChI
InChI=1S/C3H6O3.H3N/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);1H3
Names and Synonyms
- Ammonium Lactate Common Name
- Propanoic acid, 2-hydroxy-, ammonium salt (1:1) Synonym
- Ammonium lactate Synonym
- Lactic acid, monoammonium salt Synonym
- Propanoic acid, 2-hydroxy-, monoammonium salt Synonym
- Ammonium 2-hydroxypropionate Synonym
- W 1001-10 Synonym
- Lac-Hydrin Synonym
- BMS 186091 Synonym
- (±)-Ammonium lactate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 107.11 g/mol | CAS Common Chemistry |
| 107.109 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ammonium_lactate | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C(O)C.N | CAS Common Chemistry |
| InChI | InChI=1S/C3H6O3.H3N/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RZOBLYBZQXQGFY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 91-94 °C | CAS Common Chemistry |
| Name | Ammonium lactate | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 92.53 Ų | RDKit |
| LogP | -0.38620000000000004 | RDKit |
| -0.3862 | RDKit | |
| Molar Refractivity | 24.338700000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 107.058243148 g/mol | RDKit |
| Boiling Point | 74 °C @ 0.14 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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.
External Resources
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MW = 107.11 g/mol. Edit any field — others recompute live.
