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Amrinone
CAS: 60719-84-8 | C10H9N3O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
60719-84-8
Molecular Formula:
C10H9N3O
Molecular Mass:
187.20 g/mol
Names and Synonyms:
Amrinone
[3,4′-Bipyridin]-6(1H)-one, 5-amino-
5-Amino[3,4′-bipyridin]-6(1H)-one
Amrinone
Win 40680
5-Amino-1,6-dihydro-6-oxo-[3,4′-bipyridine]
Cordemcura
AWD 08-250
3-Amino-5-(4-pyridinyl)-1,2-dihydro-2-pyridone
Wincoram
Vesistol
Cartonic
Inamrinone
3-Amino-5-(pyridin-4-yl)pyridin-2(1H)-one
3-Amino-5-pyridin-4-yl-1H-pyridin-2-one
3-Amino-5-(pyridin-4-yl)-1,2-dihydropyridin-2-one
3-Amino-5-(4-pyridinyl)-2(1H)-pyridinone
Identifiers:
SMILES:
Nc1cc(-c2ccncc2)cnc1O
InChI:
InChI=1S/C10H9N3O/c11-9-5-8(6-13-10(9)14)7-1-3-12-4-2-7/h1-6H,11H2,(H,13,14)
Key Properties
Melting Point
295 °C (decomp)
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 | 187.20 g/mol | CAS Common Chemistry |
| 187.202 g/mol | RDKit | |
| 187.074561908 g/mol | RDKit | |
| Canonical SMILES | O=C1NC=C(C=C1N)C=2C=CN=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H9N3O/c11-9-5-8(6-13-10(9)14)7-1-3-12-4-2-7/h1-6H,11H2,(H,13,14) | CAS Common Chemistry |
| InChI Key | InChIKey=RNLQIBCLLYYYFJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 295 °C (decomp) | CAS Common Chemistry |
| Name | Amrinone | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 72.03 Ų | RDKit |
| LogP | 1.4314 | RDKit |
| Molar Refractivity | 53.545200000000015 | RDKit |
