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Molecule
Glufosinate-Ammonium
CAS: 77182-82-2 · C5H15N2O4P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 77182-82-2
- Molecular Formula
- C5H15N2O4P
- Molecular Mass
- 198.16 g/mol
Identifiers
CAS Registry Number
77182-82-2
SMILES
CP(=O)(O)CCC(N)C(=O)O.N
InChI Key
ZBMRKNMTMPPMMK-UHFFFAOYSA-N
InChI
InChI=1S/C5H12NO4P.H3N/c1-11(9,10)3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10);1H3
Names and Synonyms
- Glufosinate-Ammonium Synonym
- Butanoic acid, 2-amino-4-(hydroxymethylphosphinyl)-, ammonium salt (1:1) Synonym
- Butanoic acid, 2-amino-4-(hydroxymethylphosphinyl)-, monoammonium salt Synonym
- Basta Synonym
- HOE 00661 Synonym
- Glufosinate-ammonium Synonym
- HOE 39866 Synonym
- Ammonium glufosinate Synonym
- Finale Synonym
- Finale 14SL Synonym
- Basta LS Synonym
- Ignite Synonym
- Glufosinate monoammonium salt Synonym
- Liberty Synonym
- Liberty (pesticide) Synonym
- Dash Synonym
- Basta Fl Synonym
- Buster Synonym
- Basta 150SL Synonym
- BASTA 15 Synonym
- Ignite 280 Synonym
- Glufosinate ammonium salt Synonym
- Liberty 280SL Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 198.16 g/mol | CAS Common Chemistry |
| 198.159 g/mol | RDKit | |
| Density | 1.40 g/cm³ | CAS Common Chemistry |
| 1.4 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | O=C(O)C(N)CCP(=O)(O)C.N | CAS Common Chemistry |
| InChI | InChI=1S/C5H12NO4P.H3N/c1-11(9,10)3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10);1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZBMRKNMTMPPMMK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 215 °C | CAS Common Chemistry |
| Name | Glufosinate-ammonium | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 135.62 Ų | RDKit |
| 126.21 Ų | chempirical lib | |
| LogP | -0.14939999999999987 | RDKit |
| -0.1494 | RDKit | |
| Molar Refractivity | 45.866600000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 198.07694358999998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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MW = 198.16 g/mol; density = 1.400 g/mL. Edit any field — others recompute live.
