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Cyclopropanecarboximidamide, Hydrochloride (1:1)
CAS: 57297-29-7 | C4H9ClN2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
57297-29-7
Molecular Formula:
C4H9ClN2
Molecular Weight:
120.58300000000001 g/mol
Names and Synonyms:
Cyclopropanecarboximidamide, Hydrochloride (1:1)
Cyclopropanecarboximidamide, hydrochloride (1:1)
Cyclopropanecarboximidamide, monohydrochloride
Cyclopropanecarboxamidine hydrochloride
Cyclopropylcarbamidine hydrochloride
Cyclopropylformamidine hydrochloride
Cyclopropanecarboxamidine hydrochloride salt
Identifiers:
SMILES:
Cl.N=C(N)C1CC1
InChI:
InChI=1S/C4H8N2.ClH/c5-4(6)3-1-2-3;/h3H,1-2H2,(H3,5,6);1H
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 120.58 g/mol | Legacy Database |
| cas-canonical-smile | Cl.N=C(N)C1CC1 None | Legacy Database |
| cas-inchi | InChI=1S/C4H8N2.ClH/c5-4(6)3-1-2-3;/h3H,1-2H2,(H3,5,6);1H None | Legacy Database |
| cas-inchi-key | InChIKey=JRYOZJIRAVZGMV-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 55-58 °C None | Legacy Database |
| cas-name | Cyclopropanecarboximidamide, hydrochloride (1:1) None | Legacy Database |
| LogP | 0.7541700000000002 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 120.58300000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 120.04542596799999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 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 | 49.870000000000005 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 31.886099999999995 | RDKit |
