Back to Search
6-Aminonicotinamide
CAS: 329-89-5 | C6H7N3O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
329-89-5
Molecular Formula:
C6H7N3O
Molecular Mass:
137.14 g/mol
Names and Synonyms:
6-Aminonicotinamide
3-Pyridinecarboxamide, 6-amino-
Nicotinamide, 6-amino-
6-Amino-3-pyridinecarboxamide
6-Aminonicotinamide
2-Amino-5-carbamoylpyridine
SR 4388
NSC 21206
5-Aminocarbonyl-2-Aminopyridine
6 AN
Identifiers:
SMILES:
N=C(O)c1ccc(=N)[nH]c1
InChI:
InChI=1S/C6H7N3O/c7-5-2-1-4(3-9-5)6(8)10/h1-3H,(H2,7,9)(H2,8,10)
Key Properties
Melting Point
200 °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 | 137.14 g/mol | CAS Common Chemistry |
| 137.142 g/mol | RDKit | |
| 137.058911844 g/mol | RDKit | |
| Canonical SMILES | O=C(N)C1=CN=C(N)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H7N3O/c7-5-2-1-4(3-9-5)6(8)10/h1-3H,(H2,7,9)(H2,8,10) | CAS Common Chemistry |
| InChI Key | InChIKey=ZLWYEPMDOUQDBW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 200 °C | CAS Common Chemistry |
| Name | 6-Aminonicotinamide | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 83.72 Ų | RDKit |
| LogP | 0.37754000000000004 | RDKit |
| Molar Refractivity | 36.10490000000001 | RDKit |
