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Cyclopropanecarbohydrazide
CAS: 6952-93-8 | C4H8N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6952-93-8
Molecular Formula:
C4H8N2O
Molecular Weight:
100.121 g/mol
Names and Synonyms:
Cyclopropanecarbohydrazide
N-(Cyclopropylcarbonyl)hydrazine
Cyclopropanecarboxylic hydrazide
NSC 70850
(Cyclopropylcarbonyl)hydrazine
Cyclopropanecarbohydrazide
Cyclopropanecarboxylic acid, hydrazide
1-(Cyclopropylcarbonyl)hydrazine
Identifiers:
SMILES:
NN=C(O)C1CC1
InChI:
InChI=1S/C4H8N2O/c5-6-4(7)3-1-2-3/h3H,1-2,5H2,(H,6,7)
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 |
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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 | 100.121 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 100.063662876 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 58.61 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.22659999999999964 | RDKit |
| molecular_mass | 100.12 g/mol | Legacy Database |
| cas-canonical-smile | O=C(NN)C1CC1 None | Legacy Database |
| cas-inchi | InChI=1S/C4H8N2O/c5-6-4(7)3-1-2-3/h3H,1-2,5H2,(H,6,7) None | Legacy Database |
| cas-inchi-key | InChIKey=JFYKIEHOOZWARC-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 98-99 °C None | Legacy Database |
| cas-name | Cyclopropanecarbohydrazide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 26.975199999999997 | RDKit |
