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Polaris
CAS: 2439-99-8 | C4H11NO8P2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
2439-99-8
Molecular Formula:
C4H11NO8P2
Molecular Mass:
263.08 g/mol
Names and Synonyms:
Polaris
Glycine, N,N-bis(phosphonomethyl)-
N,N-Bis(phosphonomethyl)glycine
Nitrilomonoacetic acid dimethylenephosphonic acid
CP 41845
Polaris
Glyphosine
MON-O45
Glycine-N,N-bis(methylenephosphonic acid)
MON 845
Nitrilomonomethylcarbonyldimethylphosphonic acid
Glycinedimethanephosphonic acid
C 9552
N,N-Bis(phosphonomethyl)aminoacetic acid
Polaris (ripening agent)
N,N-Di(phosphonomethyl)glycine
NSC 18468
N,N-Bis(phosphonomethyl)aminoacetic
GDMP
2-[Bis(phosphonomethyl)amino]acetic acid
Glycine dimethylene phosphonic acid
(((Carboxymethyl)imino)dimethylene)bisphosphonic acid
Glycine, anhydride with dimethyl phosphate
Identifiers:
SMILES:
O=C(O)CN(CP(=O)(O)O)CP(=O)(O)O
InChI:
InChI=1S/C4H11NO8P2/c6-4(7)1-5(2-14(8,9)10)3-15(11,12)13/h1-3H2,(H,6,7)(H2,8,9,10)(H2,11,12,13)
Key Properties
Melting Point
205 °C
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 | 263.08 g/mol | CAS Common Chemistry |
| 263.079 g/mol | RDKit | |
| 262.995989572 g/mol | RDKit | |
| Canonical SMILES | O=C(O)CN(CP(=O)(O)O)CP(=O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/C4H11NO8P2/c6-4(7)1-5(2-14(8,9)10)3-15(11,12)13/h1-3H2,(H,6,7)(H2,8,9,10)(H2,11,12,13) | CAS Common Chemistry |
| InChI Key | InChIKey=OXHDYFKENBXUEM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 205 °C | CAS Common Chemistry |
| Name | Polaris | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 155.6 Ų | RDKit |
| LogP | -1.3566000000000003 | RDKit |
| Molar Refractivity | 48.16400000000002 | RDKit |
