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Molecule
Metformin
CAS: 657-24-9 · C4H11N5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 657-24-9
- Molecular Formula
- C4H11N5
- Molecular Mass
- 129.17 g/mol
Identifiers
CAS Registry Number
657-24-9
SMILES
CN(C)C(=N)NC(=N)N
InChI Key
XZWYZXLIPXDOLR-UHFFFAOYSA-N
InChI
InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)
Names and Synonyms
- Metformin Synonym
- Imidodicarbonimidic diamide, N,N-dimethyl- Synonym
- Biguanide, 1,1-dimethyl- Synonym
- N,N-Dimethylimidodicarbonimidic diamide Synonym
- N,N-Dimethylbiguanide Synonym
- N1,N1-Dimethylbiguanide Synonym
- 1,1-Dimethylbiguanide Synonym
- N,N-Dimethyldiguanide Synonym
- Flumamine Synonym
- Metformin Synonym
- NNDG Synonym
- Dimethylbiguanide Synonym
- DMGG Synonym
- Fluamine Synonym
- Gliguanid Synonym
- Haurymelin Synonym
- Metiguanide Synonym
- Siofor Synonym
- N′-Dimethylguanylguanidine Synonym
- Metphage Synonym
- Ficonax Synonym
- Emiphage Synonym
- Cidophage Synonym
- Glucofine Synonym
- Glifor Synonym
- 1-[Amino(dimethylamino)methylidene]guanidine Synonym
- 1-Carbamimidamido-N,N-dimethylmethanimidamide Synonym
- [[Amino(dimethylamino)methylidene]amino]methanimidamide Synonym
- Okamet Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 129.17 g/mol | CAS Common Chemistry |
| 129.167 g/mol | RDKit | |
| Canonical SMILES | N=C(N)NC(=N)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8) | CAS Common Chemistry |
| InChI Key | InChIKey=XZWYZXLIPXDOLR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 199-200 °C | CAS Common Chemistry |
| Name | Metformin | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 88.99000000000001 Ų | RDKit |
| 88.99 Ų | RDKit | |
| LogP | -1.034159999999999 | RDKit |
| -1.0342 | RDKit | |
| Molar Refractivity | 36.46349999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 129.10144535199998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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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 = 129.17 g/mol. Edit any field — others recompute live.
