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Molecule
Phenformin
CAS: 114-86-3 · C10H15N5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 114-86-3
- Molecular Formula
- C10H15N5
- Molecular Mass
- 205.27 g/mol
Identifiers
CAS Registry Number
114-86-3
SMILES
N=C(N)NC(=N)NCCc1ccccc1
InChI Key
ICFJFFQQTFMIBG-UHFFFAOYSA-N
InChI
InChI=1S/C10H15N5/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H6,11,12,13,14,15)
Names and Synonyms
- Phenformin Common Name
- Imidodicarbonimidic diamide, N-(2-phenylethyl)- Synonym
- Biguanide, 1-phenethyl- Synonym
- N-(2-Phenylethyl)imidodicarbonimidic diamide Synonym
- W 32 Synonym
- PEDG Synonym
- β-Phenethylbiguanide Synonym
- 1-Phenethylbiguanide Synonym
- Phenformin Synonym
- Phenformine Synonym
- Phenformix Synonym
- Phenethylbiguanide Synonym
- Cronoformin Synonym
- Fenformin Synonym
- Fenormin Synonym
- DBI Synonym
- DB-retard Synonym
- Debeone Synonym
- Diabis Synonym
- Retardo Synonym
- Dibiraf Synonym
- Dibotin Synonym
- Glyphen Synonym
- β-PEBG Synonym
- (Phenylethyl)biguanide Synonym
- DB Comb. Synonym
- Glukopostin Synonym
- Fenfoduron Synonym
- N-(β-Phenethyl)diguanide Synonym
- 1-Carbamimidamido-N-(2-phenylethyl)methanimidamide Synonym
- 1-(Diaminomethylidene)-2-(2-phenylethyl)guanidine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 205.27 g/mol | CAS Common Chemistry |
| 205.26500000000001 g/mol | RDKit | |
| 205.265 g/mol | RDKit | |
| Canonical SMILES | N=C(N)NC(=N)NCCC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H15N5/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H6,11,12,13,14,15) | CAS Common Chemistry |
| InChI Key | InChIKey=ICFJFFQQTFMIBG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 176.5 °C | CAS Common Chemistry |
| Name | Phenformin | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 97.78 Ų | RDKit |
| LogP | 0.23654000000000086 | RDKit |
| 0.2365 | RDKit | |
| Molar Refractivity | 60.92520000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 205.13274547999998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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.
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MW = 205.27 g/mol. Edit any field — others recompute live.
