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2-Pyrazinecarboximidamide, Hydrochloride (1:1)
CAS: 138588-41-7 | C5H7ClN4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
138588-41-7
Molecular Formula:
C5H7ClN4
Molecular Mass:
158.59 g/mol
Names and Synonyms:
2-Pyrazinecarboximidamide, Hydrochloride (1:1)
2-Pyrazinecarboximidamide, hydrochloride (1:1)
Pyrazinecarboximidamide, monohydrochloride
Pyrazine-2-carboximidamide monohydrochloride
Pyrazine-2-carboximidamide hydrochloride
Identifiers:
SMILES:
Cl.N=C(N)c1cnccn1
InChI:
InChI=1S/C5H6N4.ClH/c6-5(7)4-3-8-1-2-9-4;/h1-3H,(H3,6,7);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 |
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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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 158.59 g/mol | CAS Common Chemistry |
| 158.59200000000004 g/mol | RDKit | |
| 158.035923904 g/mol | RDKit | |
| Canonical SMILES | Cl.N=C(N)C1=NC=CN=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H6N4.ClH/c6-5(7)4-3-8-1-2-9-4;/h1-3H,(H3,6,7);1H | CAS Common Chemistry |
| InChI Key | InChIKey=FCVKLVNLBIBCCU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Pyrazinecarboximidamide, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 75.65 Ų | RDKit |
| LogP | 0.18247000000000002 | RDKit |
| Molar Refractivity | 40.2961 | RDKit |
