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CAS No.: | 1674-62-0 |
---|---|
Name: | METFORMIN RELATED COMPOUND B (25 MG) (1-METHYLBIGUANIDE HYDROCHLORIDE) |
Molecular Structure: | |
Formula: | C3H10ClN5 |
Molecular Weight: | 151.599 |
Synonyms: | Biguanide,1-methyl-, hydrochloride (6CI,7CI,8CI);Imidodicarbonimidic diamide, N-methyl-,monohydrochloride (9CI);N'-Methylbiguanide monohydrochloride; |
Density: | 1.45 g/cm3 |
Boiling Point: | 225 °C at 760 mmHg |
Flash Point: | 89.9 °C |
PSA: | 97.78000 |
LogP: | 1.10720 |
methylamine hydrochloride
N-Cyanoguanidine
N1-methyl biguanide hydrochloride
Conditions | Yield |
---|---|
In butan-1-ol for 15h; Reflux; | 61% |
N1-methyl biguanide hydrochloride
methyl (1,3-benzothiazol-2-ylsulfanyl)acetate
Conditions | Yield |
---|---|
Stage #1: N1-methyl biguanide hydrochloride With sodium methylate In methanol at 20℃; for 0.5h; Stage #2: methyl (1,3-benzothiazol-2-ylsulfanyl)acetate In methanol for 10h; Heating; | 73% |
methylamine hydrochloride
N1-methyl biguanide hydrochloride
A
1-methylguanidine
B
guanidine nitrate
Conditions | Yield |
---|---|
beim Erhitzen; |
N1-methyl biguanide hydrochloride
A
CYANAMID
B
1-methylguanidine
C
guanidine hydrochloride
D
methylcyanamide
Conditions | Yield |
---|---|
bei der thermischen Zersetzung; |
Conditions | Yield |
---|---|
beim Erhitzen; |
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The 1-Methylbiguanide hydrochloride, with the CAS registry number 1674-62-0, is also known as N-Methylimidodicarbonimidic diamide monohydrochloride. This chemical's molecular formula is C3H10ClN5 and molecular weight is 151.598. Its IUPAC name is called 1-(diaminomethylidene)-2-methylguanidine hydrochloride. This chemical's classification code is Drug / Therapeutic Agent.
Physical properties of 1-Methylbiguanide hydrochloride: (1)ACD/LogP: -1.79; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4; (4)ACD/LogD (pH 7.4): -4; (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: 1; (12)Flash Point: 89.9 °C; (13)Enthalpy of Vaporization: 46.15 kJ/mol; (14)Boiling Point: 225 °C at 760 mmHg; (15)Vapour Pressure: 0.0885 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN=C(N)N=C(N)N.Cl
(2)InChI: InChI=1S/C3H9N5.ClH/c1-7-3(6)8-2(4)5;/h1H3,(H6,4,5,6,7,8);1H
(3)InChIKey: AAYCPBAOUJRPIC-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 470mg/kg (470mg/kg) | Pharmacological Research Communications. Vol. 6, Pg. 117, 1974. | |
mouse | LD50 | oral | 1750mg/kg (1750mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 12, Pg. 314, 1962. | |
rat | LD50 | intraperitoneal | 325mg/kg (325mg/kg) | Farmaco, Edizione Scientifica. Vol. 15, Pg. 521, 1960. | |
rat | LD50 | oral | 1754mg/kg (1754mg/kg) | Farmaco, Edizione Scientifica. Vol. 15, Pg. 521, 1960. |