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1674-62-0

Basic Information
CAS No.: 1674-62-0
Name: METFORMIN RELATED COMPOUND B (25 MG) (1-METHYLBIGUANIDE HYDROCHLORIDE)
Molecular Structure:
Molecular Structure of 1674-62-0 (METFORMIN RELATED COMPOUND B (25 MG) (1-METHYLBIGUANIDE HYDROCHLORIDE))
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
Synthetic route
593-51-1

methylamine hydrochloride

127099-85-8, 780722-26-1

N-Cyanoguanidine

1674-62-0

N1-methyl biguanide hydrochloride

Conditions
ConditionsYield
In butan-1-ol for 15h; Reflux;61%
1674-62-0

N1-methyl biguanide hydrochloride

24044-87-9

methyl (1,3-benzothiazol-2-ylsulfanyl)acetate

6-(benzothiazol-2-ylsulfanylmethyl)-N-methyl-[1,3,5]triazine-2,4-diamine

Conditions
ConditionsYield
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%
593-51-1

methylamine hydrochloride

1674-62-0

N1-methyl biguanide hydrochloride

A

471-29-4

1-methylguanidine

B

113-00-8

guanidine nitrate

Conditions
ConditionsYield
beim Erhitzen;
1674-62-0

N1-methyl biguanide hydrochloride

A

420-04-2

CYANAMID

B

471-29-4

1-methylguanidine

C

50-01-1

guanidine hydrochloride

D

4674-68-4

methylcyanamide

Conditions
ConditionsYield
bei der thermischen Zersetzung;

ammonium chloride

1674-62-0

N1-methyl biguanide hydrochloride

A

471-29-4

1-methylguanidine

B

113-00-8

guanidine nitrate

Conditions
ConditionsYield
beim Erhitzen;
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Specification

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.