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Phenformin hydrochloride

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Name

Phenformin hydrochloride

EINECS 212-637-3
CAS No. 834-28-6 Density 1.24 g/cm3
PSA 97.78000 LogP 2.72010
Solubility >=10 g/100 mL at 21 ºC Melting Point 175-178 °C
Formula C10H16ClN5 Boiling Point 413.7oC at 760 mmHg
Molecular Weight 241.724 Flash Point 204oC
Transport Information N/A Appearance White powder
Safety 26 Risk Codes 22
Molecular Structure Molecular Structure of 834-28-6 (Phenformin hydrochloride) Hazard Symbols HarmfulXn
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;

 

Phenformin hydrochloride Specification

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.

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