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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
Names and Synonyms:
Moroxydine Hydrochloride
4-Morpholinecarboximidamide, N-(aminoiminomethyl)-, hydrochloride (1:1)
Virustat
4-Morpholinecarboxamidine, N-amidino-, monohydrochloride
4-Morpholinecarboximidamide, N-(aminoiminomethyl)-, monohydrochloride
Guanidine, 4-morpholinecarboximidoyl-, hydrochloride
ABOB hydrochloride
Spenitol
Flumidin
N1,N1-Anhydrobis(β-hydroxyethyl)biguanide hydrochloride
4-(Amidinoamidino)morpholine hydrochloride
Morpholinobiguanide monohydrochloride
Morpholinobiguanide hydrochloride
Virusmin
Moroxydine hydrochloride
Malinguchlorate
Miejunging
Identifiers:
SMILES:
Cl.N=C(N)NC(=N)N1CCOCC1
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
Key Properties
Melting Point
211-212 °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 |
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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 | 207.67 g/mol | CAS Common Chemistry |
| 207.66499999999996 g/mol | RDKit | |
| 207.08868774799998 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 52.416500000000006 | RDKit |
