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Molecule
Carbohydrazide
CAS: 497-18-7 · CH6N4O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 497-18-7
- Molecular Formula
- CH6N4O
- Molecular Mass
- 90.09 g/mol
Identifiers
CAS Registry Number
497-18-7
SMILES
NN=C(O)NN
InChI Key
XEVRDFDBXJMZFG-UHFFFAOYSA-N
InChI
InChI=1S/CH6N4O/c2-4-1(6)5-3/h2-3H2,(H2,4,5,6)
Names and Synonyms
- Carbohydrazide Common Name
- Carbonic dihydrazide Synonym
- Carbohydrazide Synonym
- Carbazide Synonym
- Carbonic acid, dihydrazide Synonym
- Hydrazine, carbonylbis- Synonym
- Hydrazinecarboxylic acid, hydrazide Synonym
- Hydrazinecarboxamide, N-amino- Synonym
- Urea, N,N′-diamino- Synonym
- Carbodihydrazide Synonym
- Carbonohydrazide Synonym
- NSC 1934 Synonym
- 1,3-Diaminourea Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 90.09 g/mol | CAS Common Chemistry |
| 90.08600000000001 g/mol | RDKit | |
| 90.086 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Carbohydrazide | CAS Common Chemistry |
| Canonical SMILES | O=C(NN)NN | CAS Common Chemistry |
| InChI | InChI=1S/CH6N4O/c2-4-1(6)5-3/h2-3H2,(H2,4,5,6) | CAS Common Chemistry |
| InChI Key | InChIKey=XEVRDFDBXJMZFG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 154 °C | CAS Common Chemistry |
| Name | Carbohydrazide | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 96.66 Ų | RDKit |
| LogP | -1.7626 | RDKit |
| Molar Refractivity | 21.574300000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 90.05416081199999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 90.09 g/mol. Edit any field — others recompute live.
