Methylguanidine monohydrochloride

HCID 30799

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Basic information

CAS: 21770-81-0
Standard SMILES: C[NH2+]C(=N)N.[Cl-]
InChIKey: VJQCNCOGZPSOQZ-UHFFFAOYSA-N
Molecular formula: C2H8ClN3
Average molar mass: 109.56 g/mol
Monoisotopic mass: 109.040675

Overview

See also: Methylguanidine hydrochloride (preferred).

Names & identifiers

Preferred name: Methylguanidine monohydrochloride
IUPAC: carbamimidoyl(methyl)azanium chloride
English name: 1-Methylguanidine hydrochloride
Molecular formula: C2H8ClN3
Molecular weight: 109.56

Names & synonyms

Methylguanidine monohydrochloridecarbamimidoyl(methyl)azanium;chlorideGUANIDINE, 1-METHYL-, HYDROCHLORIDEMethylguanidineHClMethylguanidiniuM ChlorideMethylguanidine hydrochoride1-methyl-guanidinhydrochlorideCreatine Phosphate Impurity 17N-METHYLGUANIDINE HYDROCHLORIDE1-Methylguanidine hydrochloridemethyl-guanidinmonohydrochloridemethylguanidinemonohydrochloride

Show more names

amidino(methyl)ammonium chloride

Database identifiers

CAS: 21770-81-0、22661-87-6
PubChem CID: 30799

Properties

Computed structural properties

Topological polar surface area: 66.5 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 6
Formal charge: 0
Complexity: 40.2

Physicochemical properties

storage temp.: -20 °C · Store at -20°C
solubility: 50 mg/mL, · water: soluble50mg/mL, clear
form: Crystalline Powder
color: White to Almost white
Water Solubility: 250 mg/mL · Water: 250 mg/mL (2281.85 mM)
Stability: Hygroscopic
InChI: InChI=1S/C2H7N3.ClH/c1-5-2(3)4;/h1H3,(H4,3,4,5);1H
InChIKey: VJQCNCOGZPSOQZ-UHFFFAOYSA-N
SMILES: C(=N)(N)NC.Cl
CAS DataBase Reference: 21770 · 21770-81-0(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319
Precautionary statements: 264 · P264-P270-P280-P301+P312-P302+P352-P305+P351+P338
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xn
Risk Statements: 22 · 22-36/37/38
Safety Statements: 26 · 26-36/37
WGK Germany: 3 · 3
RTECS: 3990000 · MF3990000
HS Code: 2925.29 · 2925.29.9000
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
rtecs: MF3990000
hs_code: 2925.29.9000
risk_code: 22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 26-36/37
Storage Class: 11 - Combustible Solids
Hazard statements: H302-H315-H319
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2
Precautionary statements: P264-P270-P280-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 2 items

UsesN-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.

UsesMethylguanidine 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.

Suppliers90 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]

济南百隆化学有限公司[email protected] · [email protected]

上海炎泽化工有限公司15345144255 19975051755 · [email protected]

Additional notes

DefinitionChEBI: 1-Methylguanidine hydrochloride is a member of guanidines.

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