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Molecule
Moroxydine Hydrochloride
CAS: 3160-91-6 · C6H14ClN5O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3160-91-6
- Molecular Formula
- C6H14ClN5O
- Molecular Mass
- 207.67 g/mol
Identifiers
CAS Registry Number
3160-91-6
SMILES
Cl.N=C(N)NC(=N)N1CCOCC1
InChI Key
FXYZDFSNBBOHTA-UHFFFAOYSA-N
InChI
InChI=1S/C6H13N5O.ClH/c7-5(8)10-6(9)11-1-3-12-4-2-11;/h1-4H2,(H5,7,8,9,10);1H
Names and Synonyms
- Moroxydine Hydrochloride Common Name
- 4-Morpholinecarboximidamide, N-(aminoiminomethyl)-, hydrochloride (1:1) Synonym
- Virustat Synonym
- 4-Morpholinecarboxamidine, N-amidino-, monohydrochloride Synonym
- 4-Morpholinecarboximidamide, N-(aminoiminomethyl)-, monohydrochloride Synonym
- Guanidine, 4-morpholinecarboximidoyl-, hydrochloride Synonym
- ABOB hydrochloride Synonym
- Spenitol Synonym
- Flumidin Synonym
- N1,N1-Anhydrobis(β-hydroxyethyl)biguanide hydrochloride Synonym
- 4-(Amidinoamidino)morpholine hydrochloride Synonym
- Morpholinobiguanide monohydrochloride Synonym
- Morpholinobiguanide hydrochloride Synonym
- Virusmin Synonym
- Moroxydine hydrochloride Synonym
- Malinguchlorate Synonym
- Miejunging Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 207.67 g/mol | CAS Common Chemistry |
| 207.66499999999996 g/mol | RDKit | |
| 207.665 g/mol | RDKit | |
| 207.662 g/mol | chempirical lib | |
| Canonical SMILES | Cl.N=C(N)NC(=N)N1CCOCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H13N5O.ClH/c7-5(8)10-6(9)11-1-3-12-4-2-11;/h1-4H2,(H5,7,8,9,10);1H | CAS Common Chemistry |
| InChI Key | InChIKey=FXYZDFSNBBOHTA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 211-212 °C | CAS Common Chemistry |
| Name | Moroxydine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 98.22 Ų | RDKit |
| LogP | -0.8417600000000003 | RDKit |
| -0.8418 | RDKit | |
| Molar Refractivity | 52.416500000000006 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 207.08868774799998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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| 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 = 207.67 g/mol. Edit any field — others recompute live.
