1-Methylguanidine hydrochloride

Base Information

• Chemical Name: 1-Methylguanidine hydrochloride
• CAS No.: 21770-81-0
• Molecular Formula: C₂H₇N₃*ClH
• Molecular Weight: 109.559
• European Community (EC) Number: 245-147-3,678-598-3
• DSSTox Substance ID: DTXSID30177198
• Mol file: 21770-81-0.mol

Synonyms:1-Methylguanidine hydrochloride;21770-81-0;Methylguanidine hydrochloride;22661-87-6;Methylguanidine HCl;N-Methylguanidine hydrochloride;1-Methylguanidine HCl;Guanidine, methyl-, hydrochloride;1-Methylguanidine hydrochloride(1:x);1-Methylguanidine, HCl;1-Methylguanidinehydrochloride;2-methylguanidine hydrochloride;2-methylguanidine;hydrochloride;AI3-51270;Guanidine, methyl-, monohydrochloride;N-Methylguanidine-d3Hydrochloride;EINECS 245-147-3;MFCD00012576;2-methylguanidine,hydrochloride;methyl guanidine HCl;N-methylguanidine.HCl;SCHEMBL439854;C2-H7-N3.Cl-H;1-methyl guanidine hydrochloride;1-methyl-guanidine hydrochloride;DTXSID30177198;CHEBI:189433;Methylguanidine hydrochloride, 98%;Methylguanidine hydrochloride (1:X);N-methyl guanidine hydrochloride salt;s6309;AKOS000281844;AKOS025404541;CS-W005028;GS-4167;HY-W005028;SY030150;AM20090228;FT-0608085;FT-0628885;M0336;P16886;EN300-7386262;A815656;A816300;J-014803

Chemical Property of 1-Methylguanidine hydrochloride

Chemical Property:

• Appearance/Colour: crystalline
• Melting Point: -20 °C
• Boiling Point: 95.9 °C at 760 mmHg
• Flash Point: 11.8 °C
• PSA: 61.90000
• Density: 1.22?g/mL?at 20?°C(lit.)
• LogP: 1.09220
• Solubility.: water: soluble50mg/mL, clear
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 109.0406750
• Heavy Atom Count: 6
• Complexity: 42.9

Purity/Quality:

98%,99%, ^*data from raw suppliers

N-MethylguanidineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN=C(N)N.Cl
• Uses: N-Methylguanidine is an alkylated guanidine which shows inhibitory action against trypsin catalysis. N-Methylguanidine inhibited metabolism of certain hepatic drugs that was mediated by cytochrome P 4 50 protein in human liver microsome and hepatocyte. Methylguanidine hydrochloride can be used to prepare: Biaryl derivatives as BACE1 inhibitors. Modified xylose, which is used in the synthesis of biodegradable composite hydrogels. Methylguanidinium borohydride ionic liquid, which is applicable as a hydrogen storage material.

Technology Process of 1-Methylguanidine hydrochloride

There total 3 articles about 1-Methylguanidine hydrochloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 64.0%

methylamine hydrochloride (593-51-1) + N-Cyanoguanidine (127099-85-8,780722-26-1,461-58-5) → 1-methylguanidine hydrochloride (22661-87-6,21770-81-0)

Guidance literature:

Reference yield:

→ 1-methylguanidine hydrochloride (22661-87-6,21770-81-0)

Guidance literature:

Reference yield:

→ 3-[3[4-methoxy-2-(ethylimino)-5-oxo-4-imidazolidinyl]-1,2-benzisothiazol-5-yl]-1-methyl-6-(trifluoromethyl)uracil + 1-methylguanidine hydrochloride (22661-87-6,21770-81-0)

Guidance literature:

upstream raw materials:

methylamine hydrochloride

N-Cyanoguanidine

Downstream raw materials:

4-(dimethoxymethyl)-N-methylpyrimidin-2-amine

C₁₆H₁₄N₄O₃

2-(5-chloro-2-methyl-phenyl)-5-(2-methylamino-pyrimidin-4-yl)-1H-pyrrole-3-carbonitrile

2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-methylphenyl)-1-methyl-1H-imidazol-5(4H)-one

Refernces

• 1、 -. "Herbicidal 3 -heterocyclic substituted benzisothiazole and benzisoxazole compounds". . . Retrieved 2012/07/31.
• 2、 Munesada,Suga. "Structures of pyrimidine derivatives produced by condensation of ethyl cyanoacetate with methylguanidine. Evidence for the presence of an imino tautomer". . p. 5655 - 5662,5655-5662. Retrieved 2007/10/02.