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1-Carbamimidamido-N,N-dimethylmethanimidamide
CAS: 657-24-9 | C4H11N5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
657-24-9
Molecular Formula:
C4H11N5
Molecular Weight:
129.167 g/mol
Names and Synonyms:
1-Carbamimidamido-N,N-dimethylmethanimidamide
Metformin
Imidodicarbonimidic diamide, N,N-dimethyl-
Biguanide, 1,1-dimethyl-
N,N-Dimethylimidodicarbonimidic diamide
N,N-Dimethylbiguanide
N1,N1-Dimethylbiguanide
1,1-Dimethylbiguanide
N,N-Dimethyldiguanide
Flumamine
Metformin
NNDG
Dimethylbiguanide
DMGG
Fluamine
Gliguanid
Haurymelin
Metiguanide
Siofor
N′-Dimethylguanylguanidine
Metphage
Ficonax
Emiphage
Cidophage
Glucofine
Glifor
1-[Amino(dimethylamino)methylidene]guanidine
[[Amino(dimethylamino)methylidene]amino]methanimidamide
Okamet
Identifiers:
SMILES:
CN(C)C(=N)NC(=N)N
InChI:
InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 129.17 g/mol | Legacy Database |
| cas-canonical-smile | N=C(N)NC(=N)N(C)C None | Legacy Database |
| cas-inchi | InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8) None | Legacy Database |
| cas-inchi-key | InChIKey=XZWYZXLIPXDOLR-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 199-200 °C None | Legacy Database |
| cas-name | Metformin None | Legacy Database |
| LogP | -1.034159999999999 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 129.167 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 129.10144535199998 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 4 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 88.99000000000001 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 36.46349999999999 | RDKit |
