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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
Names and Synonyms:
Glufosinate-Ammonium
Butanoic acid, 2-amino-4-(hydroxymethylphosphinyl)-, ammonium salt (1:1)
Butanoic acid, 2-amino-4-(hydroxymethylphosphinyl)-, monoammonium salt
Basta
HOE 00661
Glufosinate-ammonium
HOE 39866
Ammonium glufosinate
Finale
Finale 14SL
Basta LS
Ignite
Glufosinate monoammonium salt
Liberty
Liberty (pesticide)
Dash
Basta Fl
Buster
Basta 150SL
BASTA 15
Ignite 280
Glufosinate ammonium salt
Liberty 280SL
Identifiers:
SMILES:
CP(=O)(O)CCC(N)C(=O)O.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
Key Properties
Melting Point
215 °C
CAS Common Chemistry
Density
1.40 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 198.16 g/mol | CAS Common Chemistry |
| 198.159 g/mol | RDKit | |
| 198.07694358999998 g/mol | RDKit | |
| Density | 1.40 g/cm³ | CAS Common Chemistry |
| 1.4 g/cm3 @ Temp: 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 |
| LogP | -0.14939999999999987 | RDKit |
| Molar Refractivity | 45.866600000000005 | RDKit |
