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Molecule
Phenformin Hydrochloride
CAS: 834-28-6 · C10H16ClN5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 834-28-6
- Molecular Formula
- C10H16ClN5
- Molecular Mass
- 241.73 g/mol
Identifiers
CAS Registry Number
834-28-6
SMILES
Cl.N=C(N)NC(=N)NCCc1ccccc1
InChI Key
YSUCWSWKRIOILX-UHFFFAOYSA-N
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
Names and Synonyms
- Phenformin Hydrochloride Synonym
- Imidodicarbonimidic diamide, N-(2-phenylethyl)-, hydrochloride (1:1) Synonym
- Biguanide, 1-phenethyl-, monohydrochloride Synonym
- Imidodicarbonimidic diamide, N-(2-phenylethyl)-, monohydrochloride Synonym
- Phenethylbiguanide hydrochloride Synonym
- 1-Phenethylbiguanide hydrochloride Synonym
- Phenformin hydrochloride Synonym
- N′-β-Phenylethylbiguanide-hydrochloride Synonym
- α-Phenethylbiguanide hydrochloride Synonym
- 1-β-Phenylethylbiguanide hydrochloride Synonym
- N-Phenethylbiguanide hydrochloride Synonym
- Dipar Synonym
- 1-(2-Phenylethyl)biguanide hydrochloride Synonym
- Dibein Synonym
- Lentobetic Synonym
- Azucaps Synonym
- Debinyl Synonym
- Feguanide Synonym
- Glucopostin Synonym
- Debeone DT Synonym
- DBI-TD Synonym
- Meltrol Synonym
- Insoral Synonym
- Normoglucina Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 241.73 g/mol | CAS Common Chemistry |
| 241.72600000000003 g/mol | RDKit | |
| 241.726 g/mol | RDKit | |
| 241.723 g/mol | chempirical lib | |
| 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 |
| 0.6583 | RDKit | |
| Molar Refractivity | 68.17320000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 241.10942319199998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
0 ppm
| 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.
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MW = 241.73 g/mol. Edit any field — others recompute live.
