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Molecule
Amiloride Hydrochloride
CAS: 2016-88-8 · C6H9Cl2N7O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2016-88-8
- Molecular Formula
- C6H9Cl2N7O
- Molecular Mass
- 266.09 g/mol
Identifiers
CAS Registry Number
2016-88-8
SMILES
Cl.N=C(N)N=C(O)c1nc(Cl)c(N)nc1N
InChI Key
ACHKKGDWZVCSNH-UHFFFAOYSA-N
InChI
InChI=1S/C6H8ClN7O.ClH/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11;/h(H4,8,9,13)(H4,10,11,14,15);1H
Names and Synonyms
- Amiloride Hydrochloride Common Name
- 2-Pyrazinecarboxamide, 3,5-diamino-N-(aminoiminomethyl)-6-chloro-, hydrochloride (1:1) Synonym
- Pyrazinecarboxamide, N-amidino-3,5-diamino-6-chloro-, monohydrochloride Synonym
- Pyrazinecarboxamide, 3,5-diamino-N-(aminoiminomethyl)-6-chloro-, monohydrochloride Synonym
- N-Amidino-3,5-diamino-6-chloropyrazinamide hydrochloride Synonym
- N-Amidino-3,5-diamino-6-chloropyrazinecarboxamide hydrochloride Synonym
- Amiloride hydrochloride Synonym
- Amipramizide Synonym
- Colectril Synonym
- Amiprazide Synonym
- Nilurid Synonym
- Amilorid hydrochloride Synonym
- Amipramidine Synonym
- Guanamprazine hydrochloride Synonym
- Midamor Synonym
- MK-870 hydrochloride Synonym
- 1-(3,5-Diamino-6-chloropyrazinecarboxyl)guanidine hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 266.09 g/mol | CAS Common Chemistry |
| 266.09200000000004 g/mol | RDKit | |
| 266.092 g/mol | RDKit | |
| 266.086 g/mol | chempirical lib | |
| Canonical SMILES | Cl.O=C(NC(=N)N)C1=NC(Cl)=C(N=C1N)N | CAS Common Chemistry |
| InChI | InChI=1S/C6H8ClN7O.ClH/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11;/h(H4,8,9,13)(H4,10,11,14,15);1H | CAS Common Chemistry |
| InChI Key | InChIKey=ACHKKGDWZVCSNH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 293.5 °C | CAS Common Chemistry |
| Name | Amiloride hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 160.28 Ų | RDKit |
| 147.37 Ų | chempirical lib | |
| LogP | -0.08572999999999997 | RDKit |
| -0.0857 | RDKit | |
| Molar Refractivity | 64.19469999999998 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 265.024563268 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 |
|---|
200 ppm
180
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20
0 ppm
| 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 = 266.09 g/mol. Edit any field — others recompute live.
