Methylguanidine hydrochloride - ≥98% , CAS No.21770-81-0

CAS: 21770-81-0 Cat. No.: M473051 Molecular Weight: 109.56 Beilstein Registry Number: 4(2)571 EC Number: 678-598-3

GRADE & PURITY ≥98%

Synonyms

1-Methylguanidine hydrochloride(1:x) | AI3-51270 | EN300-7386262 | STK084272 | 1-Methylguanidinehydrochloride | AKOS025404541 | CHEBI:189433 | N-Methylguanidine hydrochloride | AM20090228 | Methylguanidine hydrochloride | Methylguanidine hydrochloride (1:

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Description

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.

Specifications

Synonyms

1-Methylguanidine hydrochloride(1:x) | AI3-51270 | EN300-7386262 | STK084272 | 1-Methylguanidinehydrochloride | AKOS025404541 | CHEBI:189433 | N-Methylguanidine hydrochloride | AM20090228 | Methylguanidine hydrochloride | Methylguanidine hydrochloride (1:

Specifications & Purity

≥98%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488188207
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188207
• Canonical Smiles: CN=C(N)N.Cl
• IUPAC Name: 2-methylguanidine;hydrochloride
• InChIKey: VJQCNCOGZPSOQZ-UHFFFAOYSA-N
• INCHI: 1S/C2H7N3.ClH/c1-5-2(3)4;/h1H3,(H4,3,4,5);1H
• Isomeric SMILES: CN=C(N)N.Cl
• WGK Germany: 3
• RTECS: MF3990000
• Molecular Weight: 109.56
• Beilstein: 4(2)571
• Reaxy-Rn: 6212283
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6212283&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Guanidines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Guanidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Guanidines
• Alternative Parents: Carboximidamides Organopnictogen compounds Organic chloride salts Imines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Guanidine - Carboximidamide - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Imine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as guanidines. These are compounds containing a guanidine moiety, with the general structure (R1R2N)(R3R4N)C=N-R5.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: water: soluble 50mg/mL, clear
• Sensitivity: Hygroscopic
• Molecular Weight: 109.560 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 109.041 Da
• Monoisotopic Mass: 109.041 Da
• Topological Polar Surface Area: 64.400 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 42.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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