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3-Pyridinecarboximidamide, Hydrochloride (1:1)
CAS: 7356-60-7 | C6H8ClN3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7356-60-7
Molecular Formula:
C6H8ClN3
Molecular Mass:
157.60 g/mol
Names and Synonyms:
3-Pyridinecarboximidamide, Hydrochloride (1:1)
3-Pyridinecarboximidamide, hydrochloride (1:1)
Nicotinamidine, monohydrochloride
3-Pyridinecarboximidamide, monohydrochloride
Nicotinamidine, hydrochloride
3-Guanylpyridine hydrochloride
3-Pyridinecarboxamidine hydrochloride
3-Amidinopyridine hydrochloride
3-Amidinopyridine monohydrochloride
Nicotinimidamide hydrochloride
3-Amidinopyridinium chloride
Identifiers:
SMILES:
Cl.N=C(N)c1cccnc1
InChI:
InChI=1S/C6H7N3.ClH/c7-6(8)5-2-1-3-9-4-5;/h1-4H,(H3,7,8);1H
Key Properties
Melting Point
189-190 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 157.60 g/mol | CAS Common Chemistry |
| 157.604 g/mol | RDKit | |
| 157.040674936 g/mol | RDKit | |
| 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 |
| LogP | 0.7874700000000001 | RDKit |
| Molar Refractivity | 42.50110000000001 | RDKit |
