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Molecule
Amrinone
CAS: 60719-84-8 · C10H9N3O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 60719-84-8
- Molecular Formula
- C10H9N3O
- Molecular Mass
- 187.20 g/mol
Identifiers
CAS Registry Number
60719-84-8
SMILES
Nc1cc(-c2ccncc2)cnc1O
InChI Key
RNLQIBCLLYYYFJ-UHFFFAOYSA-N
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)
Names and Synonyms
- Amrinone Common Name
- [3,4′-Bipyridin]-6(1H)-one, 5-amino- Synonym
- 5-Amino[3,4′-bipyridin]-6(1H)-one Synonym
- Amrinone Synonym
- Win 40680 Synonym
- 5-Amino-1,6-dihydro-6-oxo-[3,4′-bipyridine] Synonym
- Cordemcura Synonym
- AWD 08-250 Synonym
- 3-Amino-5-(4-pyridinyl)-1,2-dihydro-2-pyridone Synonym
- Wincoram Synonym
- Vesistol Synonym
- Cartonic Synonym
- Inamrinone Synonym
- 3-Amino-5-(pyridin-4-yl)pyridin-2(1H)-one Synonym
- 3-Amino-5-pyridin-4-yl-1H-pyridin-2-one Synonym
- 3-Amino-5-(pyridin-4-yl)-1,2-dihydropyridin-2-one Synonym
- 3-Amino-5-(4-pyridinyl)-2(1H)-pyridinone Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 187.20 g/mol | CAS Common Chemistry |
| 187.202 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 |
| 70.97 Ų | chempirical lib | |
| LogP | 1.4314 | RDKit |
| Molar Refractivity | 53.545200000000015 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 187.074561908 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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.
External Resources
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MW = 187.20 g/mol. Edit any field — others recompute live.
