Back to Search
Urea, N-(Aminoiminomethyl)-, Phosphate (1:?)
CAS: 17675-60-4 | C2H9N4O5P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
17675-60-4
Molecular Formula:
C2H9N4O5P
Molecular Mass:
200.09 g/mol
Names and Synonyms:
Urea, N-(Aminoiminomethyl)-, Phosphate (1:?)
Urea, N-(aminoiminomethyl)-, phosphate (1:?)
Urea, amidino-, phosphate
Urea, (aminoiminomethyl)-, phosphate
Guanylurea phosphate
Dicyandiamidine phosphate
Apinon 403
Apinon 404
Apinon 405
Identifiers:
SMILES:
N=C(N)NC(=N)O.O=P(O)(O)O
InChI:
InChI=1S/C2H6N4O.H3O4P/c3-1(4)6-2(5)7;1-5(2,3)4/h(H6,3,4,5,6,7);(H3,1,2,3,4)
Key Properties
Melting Point
185-188 °C (decomp)
CAS Common Chemistry
Density
1.62 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 | 200.09 g/mol | CAS Common Chemistry |
| 200.091 g/mol | RDKit | |
| 200.03105601800002 g/mol | RDKit | |
| Density | 1.62 g/cm³ | CAS Common Chemistry |
| 1.62 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=C(N)NC(=N)N.O=P(O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/C2H6N4O.H3O4P/c3-1(4)6-2(5)7;1-5(2,3)4/h(H6,3,4,5,6,7);(H3,1,2,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=ZHURYQINAXWNAH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 185-188 °C (decomp) | CAS Common Chemistry |
| Name | Urea, N-(aminoiminomethyl)-, phosphate (1:?) | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 8 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 183.73999999999998 Ų | RDKit |
| LogP | -1.9663599999999994 | RDKit |
| Molar Refractivity | 39.668200000000006 | RDKit |
