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Molecule
Carbonic Acid, Ammonium Salt (1:1), Mixt. With Ammonium Carbamate (1:1)
CAS: 8000-73-5 · C2H11N3O5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 8000-73-5
- Molecular Formula
- C2H11N3O5
- Molecular Mass
- 157.13 g/mol
Identifiers
CAS Registry Number
8000-73-5
SMILES
N.N.NC(=O)O.O=C(O)O
InChI Key
YNSUIDWLZCFLML-UHFFFAOYSA-N
InChI
InChI=1S/CH3NO2.CH2O3.2H3N/c2*2-1(3)4;;/h2H2,(H,3,4);(H2,2,3,4);2*1H3
Names and Synonyms
- Carbonic Acid, Ammonium Salt (1:1), Mixt. With Ammonium Carbamate (1:1) Systematic Name
- Carbonic acid, ammonium salt (1:1), mixt. with ammonium carbamate (1:1) Synonym
- Carbonic acid, monoammonium salt, mixt. with carbamic acid monoammonium salt Synonym
- Carbamic acid, monoammonium salt, mixt. contg. Synonym
- Ammonium carbonate carbamate Synonym
- Ammonium bicarbonate-ammonium carbamate Synonym
- UGAM Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 157.13 g/mol | CAS Common Chemistry |
| 157.12599999999998 g/mol | RDKit | |
| 157.126 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 |
| 190.85 Ų | RDKit | |
| LogP | 0.16950000000000004 | RDKit |
| 0.1695 | RDKit | |
| Molar Refractivity | 32.91000000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 157.069870452 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 157.13 g/mol. Edit any field — others recompute live.
