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Carbohydrazide
CAS: 497-18-7 | CH6N4O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
497-18-7
Molecular Formula:
CH6N4O
Molecular Weight:
90.08600000000001 g/mol
Names and Synonyms:
Carbohydrazide
Common Name
1,3-Diaminourea
Synonym
NSC 1934
Synonym
Carbonohydrazide
Synonym
Carbodihydrazide
Synonym
Urea, N,N′-diamino-
Synonym
Hydrazinecarboxamide, N-amino-
Synonym
Hydrazinecarboxylic acid, hydrazide
Synonym
Hydrazine, carbonylbis-
Synonym
Carbonic acid, dihydrazide
Synonym
Carbazide
Synonym
Carbohydrazide
Synonym
Carbonic dihydrazide
Synonym
Identifiers:
SMILES:
NN=C(O)NN
InChI:
InChI=1S/CH6N4O/c2-4-1(6)5-3/h2-3H2,(H2,4,5,6)
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 90.08600000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 90.05416081199999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 4 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 96.66 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -1.7626 | RDKit |
| molecular_mass | 90.09 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Carbohydrazide None | Legacy Database |
| cas-canonical-smile | O=C(NN)NN None | Legacy Database |
| cas-inchi | InChI=1S/CH6N4O/c2-4-1(6)5-3/h2-3H2,(H2,4,5,6) None | Legacy Database |
| cas-inchi-key | InChIKey=XEVRDFDBXJMZFG-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 154 °C None | Legacy Database |
| cas-name | Carbohydrazide None | Legacy Database |
| wikipedia-name | Carbohydrazide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 21.574300000000004 | RDKit |