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Phenformin Hydrochloride
CAS: 834-28-6 | C10H16ClN5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
834-28-6
Molecular Formula:
C10H16ClN5
Molecular Mass:
241.73 g/mol
Names and Synonyms:
Phenformin Hydrochloride
Imidodicarbonimidic diamide, N-(2-phenylethyl)-, hydrochloride (1:1)
Biguanide, 1-phenethyl-, monohydrochloride
Imidodicarbonimidic diamide, N-(2-phenylethyl)-, monohydrochloride
Phenethylbiguanide hydrochloride
1-Phenethylbiguanide hydrochloride
Phenformin hydrochloride
N′-β-Phenylethylbiguanide-hydrochloride
α-Phenethylbiguanide hydrochloride
1-β-Phenylethylbiguanide hydrochloride
N-Phenethylbiguanide hydrochloride
Dipar
1-(2-Phenylethyl)biguanide hydrochloride
Dibein
Lentobetic
Azucaps
Debinyl
Feguanide
Glucopostin
Debeone DT
DBI-TD
Meltrol
Insoral
Normoglucina
Identifiers:
SMILES:
Cl.N=C(N)NC(=N)NCCc1ccccc1
InChI:
InChI=1S/C10H15N5.ClH/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);1H
Key Properties
Melting Point
175-178 °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 | 241.73 g/mol | CAS Common Chemistry |
| 241.72600000000003 g/mol | RDKit | |
| 241.10942319199998 g/mol | RDKit | |
| Canonical SMILES | Cl.N=C(N)NC(=N)NCCC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H15N5.ClH/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);1H | CAS Common Chemistry |
| InChI Key | InChIKey=YSUCWSWKRIOILX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 175-178 °C | CAS Common Chemistry |
| Name | Phenformin hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 16 | 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 | 0.6583399999999993 | RDKit |
| Molar Refractivity | 68.17320000000001 | RDKit |
