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Molecule
Cyclopropanecarboximidamide, Hydrochloride (1:1)
CAS: 57297-29-7 · C4H9ClN2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 57297-29-7
- Molecular Formula
- C4H9ClN2
- Molecular Mass
- 120.58 g/mol
Identifiers
CAS Registry Number
57297-29-7
SMILES
Cl.N=C(N)C1CC1
InChI Key
JRYOZJIRAVZGMV-UHFFFAOYSA-N
InChI
InChI=1S/C4H8N2.ClH/c5-4(6)3-1-2-3;/h3H,1-2H2,(H3,5,6);1H
Names and Synonyms
- Cyclopropanecarboximidamide, Hydrochloride (1:1) Synonym
- Cyclopropanecarboximidamide, hydrochloride (1:1) Synonym
- Cyclopropanecarboximidamide, monohydrochloride Synonym
- Cyclopropanecarboxamidine hydrochloride Synonym
- Cyclopropylcarbamidine hydrochloride Synonym
- Cyclopropylformamidine hydrochloride Synonym
- Cyclopropanecarboxamidine hydrochloride salt Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 120.58 g/mol | CAS Common Chemistry |
| 120.58300000000001 g/mol | RDKit | |
| 120.583 g/mol | RDKit | |
| Canonical SMILES | Cl.N=C(N)C1CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C4H8N2.ClH/c5-4(6)3-1-2-3;/h3H,1-2H2,(H3,5,6);1H | CAS Common Chemistry |
| InChI Key | InChIKey=JRYOZJIRAVZGMV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 55-58 °C | CAS Common Chemistry |
| Name | Cyclopropanecarboximidamide, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 49.870000000000005 Ų | RDKit |
| 49.87 Ų | RDKit | |
| LogP | 0.7541700000000002 | RDKit |
| 0.7542 | RDKit | |
| Molar Refractivity | 31.886099999999995 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 120.04542596799999 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 = 120.58 g/mol. Edit any field — others recompute live.
