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Phenformin
CAS: 114-86-3 | C10H15N5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
114-86-3
Molecular Formula:
C10H15N5
Molecular Mass:
205.27 g/mol
Names and Synonyms:
Phenformin
Imidodicarbonimidic diamide, N-(2-phenylethyl)-
Biguanide, 1-phenethyl-
N-(2-Phenylethyl)imidodicarbonimidic diamide
W 32
PEDG
β-Phenethylbiguanide
1-Phenethylbiguanide
Phenformin
Phenformine
Phenformix
Phenethylbiguanide
Cronoformin
Fenformin
Fenormin
DBI
DB-retard
Debeone
Diabis
Retardo
Dibiraf
Dibotin
Glyphen
β-PEBG
(Phenylethyl)biguanide
DB Comb.
Glukopostin
Fenfoduron
N-(β-Phenethyl)diguanide
1-Carbamimidamido-N-(2-phenylethyl)methanimidamide
1-(Diaminomethylidene)-2-(2-phenylethyl)guanidine
Identifiers:
SMILES:
N=C(N)NC(=N)NCCc1ccccc1
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)
Key Properties
Melting Point
176.5 °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 | 205.27 g/mol | CAS Common Chemistry |
| 205.26500000000001 g/mol | RDKit | |
| 205.13274547999998 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 |
| Molar Refractivity | 60.92520000000002 | RDKit |
