Back to Search
Aminomethylphosphonic Acid
CAS: 1066-51-9 | CH6NO3P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1066-51-9
Molecular Formula:
CH6NO3P
Molecular Mass:
111.04 g/mol
Names and Synonyms:
Aminomethylphosphonic Acid
Phosphonic acid, P-(aminomethyl)-
Phosphonic acid, (aminomethyl)-
P-(Aminomethyl)phosphonic acid
Aminomethanephosphonic acid
Phosphaglycine
Nalco 3919
(Aminomethyl)phosphonic acid
AMPA (surfactant)
AMPA
NSC 30076
Identifiers:
SMILES:
NCP(=O)(O)O
InChI:
InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)
Key Properties
Melting Point
310 °C @ Solvent: Ethanol
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 | 111.04 g/mol | CAS Common Chemistry |
| 111.03699999999998 g/mol | RDKit | |
| 111.008529682 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Aminomethylphosphonic_acid | CAS Common Chemistry |
| Canonical SMILES | O=P(O)(O)CN | CAS Common Chemistry |
| InChI | InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5) | CAS Common Chemistry |
| InChI Key | InChIKey=MGRVRXRGTBOSHW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 310 °C @ Solvent: Ethanol | CAS Common Chemistry |
| Name | (Aminomethyl)phosphonic acid | CAS Common Chemistry |
| Aminomethylphosphonic acid | CAS Common Chemistry | |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 83.55000000000001 Ų | RDKit |
| LogP | -0.9197000000000002 | RDKit |
| Molar Refractivity | 21.098499999999998 | RDKit |
