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CAS No.: | 834-28-6 |
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Name: | Phenformin hydrochloride |
Molecular Structure: | |
Formula: | C10H16ClN5 |
Molecular Weight: | 241.724 |
Synonyms: | Biguanide,1-phenethyl-, monohydrochloride (8CI);Imidodicarbonimidic diamide, N-(2-phenylethyl)-,monohydrochloride (9CI);1-(2-Phenylethyl)biguanide hydrochloride;1-Phenethylbiguanide hydrochloride;1-b-Phenylethylbiguanide hydrochloride;Azucaps;DBI-TD;Debeone DT;Debinyl;Dibein;Dipar;Feguanide;Glucopostin;Insoral;Lentobetic;Meltrol;N-Phenethylbiguanide hydrochloride;Normoglucina;N'-b-Phenylethylbiguanide-hydrochloride;Phenethylbiguanide hydrochloride;Phenformin hydrochloride;a-Phenethylbiguanide hydrochloride; |
EINECS: | 212-637-3 |
Density: | 1.24 g/cm3 |
Melting Point: | 175-178 °C |
Boiling Point: | 413.7oC at 760 mmHg |
Flash Point: | 204oC |
Solubility: | >=10 g/100 mL at 21 ºC |
Appearance: | White powder |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
Safety: | 26 |
PSA: | 97.78000 |
LogP: | 2.72010 |
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The CAS registry number of Phenethylbiguanide hydrochloride is 834-28-6. The IUPAC name is 1-(diaminomethylidene)-2-(2-phenylethyl)guanidine hydrochloride (1:1). Its EINECS registry number is 212-637-3. In addition, the formula is C10H16ClN5 and the molecular weight is 241.72. It belongs to the classes of Intermediates & Fine Chemicals and Pharmaceuticals. What's more, it is a kind of white crystalline solid. It can be used as hypoglycemic agents. And it can dissolve in water.
Physical properties about this chemical are: (1)ACD/LogP: 0.90; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.1; (4)ACD/LogD (pH 7.4): -1.08; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 34.44 Å2; (13)Flash Point: 204 °C; (14)Enthalpy of Vaporization: 66.65 kJ/mol; (15)Boiling Point: 413.7 °C at 760 mmHg; (16)Vapour Pressure: 4.71E-07 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. You should wear suitable protective clothing when you are using it.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.N(=C(/N=C(\N)N)N)\CCc1ccccc1
(2)InChI: InChI=1/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
(3)InChIKey: YSUCWSWKRIOILX-UHFFFAOYAM
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
guinea pig | LD50 | oral | 47mg/kg (47mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 12, Pg. 314, 1962. | |
guinea pig | LD50 | subcutaneous | 19mg/kg (19mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 12, Pg. 314, 1962. | |
mouse | LD50 | intraperitoneal | 150mg/kg (150mg/kg) | National Technical Information Service. Vol. AD691-490, | |
mouse | LD50 | intravenous | 17800ug/kg (17.8mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00094, | |
mouse | LD50 | oral | 407mg/kg (407mg/kg) | ENDOCRINE: HYPOGLYCEMIA | Toxicology and Applied Pharmacology. Vol. 14, Pg. 393, 1969. |
mouse | LDLo | subcutaneous | 200mg/kg (200mg/kg) | Journal of the American Chemical Society. Vol. 81, Pg. 3728, 1959. | |
rat | LD50 | intraperitoneal | 140mg/kg (140mg/kg) | Acta Poloniae Pharmaceutica. For English translation, see APPFAR. Vol. 36, Pg. 401, 1979. | |
rat | LD50 | intravenous | 17500ug/kg (17.5mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: CYANOSIS LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Arzneimittel-Forschung. Drug Research. Vol. 23, Pg. 1571, 1973. |
rat | LD50 | oral | 938mg/kg (938mg/kg) | Farmaco, Edizione Scientifica. Vol. 15, Pg. 521, 1960. |