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Carbonic Acid, Ammonium Salt (1:1), Mixt. With Ammonium Carbamate (1:1)
CAS: 8000-73-5 | C2H11N3O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
8000-73-5
Molecular Formula:
C2H11N3O5
Molecular Mass:
157.13 g/mol
Names and Synonyms:
Carbonic Acid, Ammonium Salt (1:1), Mixt. With Ammonium Carbamate (1:1)
Carbonic acid, ammonium salt (1:1), mixt. with ammonium carbamate (1:1)
Carbonic acid, monoammonium salt, mixt. with carbamic acid monoammonium salt
Carbamic acid, monoammonium salt, mixt. contg.
Ammonium carbonate carbamate
Ammonium bicarbonate-ammonium carbamate
UGAM
Identifiers:
SMILES:
N.N.NC(=O)O.O=C(O)O
InChI:
InChI=1S/CH3NO2.CH2O3.2H3N/c2*2-1(3)4;;/h2H2,(H,3,4);(H2,2,3,4);2*1H3
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 | 157.13 g/mol | CAS Common Chemistry |
| 157.12599999999998 g/mol | RDKit | |
| 157.069870452 g/mol | RDKit | |
| Canonical SMILES | O=C(O)O.O=C(O)N.N.N | CAS Common Chemistry |
| InChI | InChI=1S/CH3NO2.CH2O3.2H3N/c2*2-1(3)4;;/h2H2,(H,3,4);(H2,2,3,4);2*1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YNSUIDWLZCFLML-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Carbonic acid, ammonium salt (1:1), mixt. with ammonium carbamate (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 190.84999999999997 Ų | RDKit |
| LogP | 0.16950000000000004 | RDKit |
| Molar Refractivity | 32.91000000000001 | RDKit |
