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Molecule
2-Pyrazinecarboximidamide, Hydrochloride (1:1)
CAS: 138588-41-7 · C5H7ClN4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 138588-41-7
- Molecular Formula
- C5H7ClN4
- Molecular Mass
- 158.59 g/mol
Identifiers
CAS Registry Number
138588-41-7
SMILES
Cl.N=C(N)c1cnccn1
InChI Key
FCVKLVNLBIBCCU-UHFFFAOYSA-N
InChI
InChI=1S/C5H6N4.ClH/c6-5(7)4-3-8-1-2-9-4;/h1-3H,(H3,6,7);1H
Names and Synonyms
- 2-Pyrazinecarboximidamide, Hydrochloride (1:1) Synonym
- 2-Pyrazinecarboximidamide, hydrochloride (1:1) Synonym
- Pyrazinecarboximidamide, monohydrochloride Synonym
- Pyrazine-2-carboximidamide monohydrochloride Synonym
- Pyrazine-2-carboximidamide hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 158.59 g/mol | CAS Common Chemistry |
| 158.59200000000004 g/mol | RDKit | |
| 158.592 g/mol | RDKit | |
| 158.589 g/mol | chempirical lib | |
| 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 |
| 0.1825 | RDKit | |
| Molar Refractivity | 40.2961 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 158.035923904 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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.
External Resources
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MW = 158.59 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H7ClN4.
