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Moroxydine
CAS: 3731-59-7 | C6H13N5O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3731-59-7
Molecular Formula:
C6H13N5O
Molecular Mass:
171.20 g/mol
Names and Synonyms:
Moroxydine
4-Morpholinecarboximidamide, N-(aminoiminomethyl)-
4-Morpholinecarboxamidine, N-amidino-
Guanidine, 4-morpholinecarboximidoyl-
N-(Aminoiminomethyl)-4-morpholinecarboximidamide
JD 1022
N1,N1-Anhydrobis(β-hydroxyethyl)biguanide
Moroxydine
4-Morpholinecarboximidoylguanidine
Vironil
Virugon
Virumin
Wirumin
ABOB
SKF 8898A
N-[Imino(4-morpholinyl)methyl]guanidine
Identifiers:
SMILES:
N=C(N)NC(=N)N1CCOCC1
InChI:
InChI=1S/C6H13N5O/c7-5(8)10-6(9)11-1-3-12-4-2-11/h1-4H2,(H5,7,8,9,10)
Key Properties
Melting Point
196-198 °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 |
|---|
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 | 171.20 g/mol | CAS Common Chemistry |
| 171.20399999999998 g/mol | RDKit | |
| 171.112010036 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Moroxydine | CAS Common Chemistry |
| Canonical SMILES | N=C(N)NC(=N)N1CCOCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H13N5O/c7-5(8)10-6(9)11-1-3-12-4-2-11/h1-4H2,(H5,7,8,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=KJHOZAZQWVKILO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 196-198 °C | CAS Common Chemistry |
| Name | Moroxydine | CAS Common Chemistry |
| Heavy Atom Count | 12 | 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 | -1.2635599999999996 | RDKit |
| Molar Refractivity | 45.16850000000001 | RDKit |
