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Molecule
3-Pyridinecarboximidamide, Hydrochloride (1:1)
CAS: 7356-60-7 · C6H8ClN3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7356-60-7
- Molecular Formula
- C6H8ClN3
- Molecular Mass
- 157.60 g/mol
Identifiers
CAS Registry Number
7356-60-7
SMILES
Cl.N=C(N)c1cccnc1
InChI Key
MKJPBOVLAZADQJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H7N3.ClH/c7-6(8)5-2-1-3-9-4-5;/h1-4H,(H3,7,8);1H
Names and Synonyms
- 3-Pyridinecarboximidamide, Hydrochloride (1:1) Synonym
- 3-Pyridinecarboximidamide, hydrochloride (1:1) Synonym
- Nicotinamidine, monohydrochloride Synonym
- 3-Pyridinecarboximidamide, monohydrochloride Synonym
- Nicotinamidine, hydrochloride Synonym
- 3-Guanylpyridine hydrochloride Synonym
- 3-Pyridinecarboxamidine hydrochloride Synonym
- 3-Amidinopyridine hydrochloride Synonym
- 3-Amidinopyridine monohydrochloride Synonym
- Nicotinimidamide hydrochloride Synonym
- 3-Amidinopyridinium chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 157.60 g/mol | CAS Common Chemistry |
| 157.604 g/mol | RDKit | |
| 157.601 g/mol | chempirical lib | |
| Canonical SMILES | Cl.N=C(N)C=1C=NC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H7N3.ClH/c7-6(8)5-2-1-3-9-4-5;/h1-4H,(H3,7,8);1H | CAS Common Chemistry |
| InChI Key | InChIKey=MKJPBOVLAZADQJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 189-190 °C | CAS Common Chemistry |
| Name | 3-Pyridinecarboximidamide, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 62.760000000000005 Ų | RDKit |
| 62.76 Ų | RDKit | |
| LogP | 0.7874700000000001 | RDKit |
| 0.7875 | RDKit | |
| 0.76 | chempirical lib | |
| Molar Refractivity | 42.50110000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 157.040674936 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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 = 157.60 g/mol. Edit any field — others recompute live.
