1,1-Dimethylguanidine Sulfate - ≥98%(T) , CAS No.598-65-2

CAS: 598-65-2 Cat. No.: D154660 Molecular Weight: 272.32 Beilstein Registry Number: 3916510 EC Number: 209-946-0

GRADE & PURITY ≥98%(T)

Synonyms

A936468 | 1,1-Dimethylguanidine sulfate salt, 97% | 1,1-Dimethylguanidine sulfate (2:1) | carbamimidoyl(dimethyl)azanium;sulfate | Guanidine, N,N-dimethyl-, sulfate (2:1) | AKOS015910585 | EN300-119891 | DTXSID5060512 | Z1839480548 | 1,1-dimethylguanidine

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

1,1-Dimethylguanidine sulfate salt has been employed: . as peroxide activator for bleaching cellulosic textiles . in the synthesis of N2,N2-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrimidine-2,5-diamine, substrate for the modified Pictet-Spengler reaction

Specifications

Synonyms

A936468 | 1, 1-Dimethylguanidine sulfate salt, 97% | 1, 1-Dimethylguanidine sulfate (2:1) | carbamimidoyl(dimethyl)azanium;sulfate | Guanidine, N, N-dimethyl-, sulfate (2:1) | AKOS015910585 | EN300-119891 | DTXSID5060512 | Z1839480548 | 1, 1-dimethylguanidine

Specifications & Purity

≥98%(T)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(T)

Names and Identifiers

• Pubchem Sid: 504754323
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754323
• Canonical Smiles: CN(C)C(=N)N.CN(C)C(=N)N.OS(=O)(=O)O
• IUPAC Name: 1,1-dimethylguanidine;sulfuric acid
• InChIKey: QSCHFHVDZCPIKX-UHFFFAOYSA-N
• INCHI: 1S/2C3H9N3.H2O4S/c2*1-6(2)3(4)5;1-5(2,3)4/h2*1-2H3,(H3,4,5);(H2,1,2,3,4)
• Isomeric SMILES: CN(C)C(=N)N.CN(C)C(=N)N.OS(=O)(=O)O
• WGK Germany: 3
• Molecular Weight: 272.32
• Beilstein: 3916510
• Reaxy-Rn: 3634700
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3634700&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic salts
    • Class Organic sulfate salts

• Kingdom: Organic compounds
• Superclass: Organic salts
• Class: Organic sulfate salts
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic sulfate salts
• Alternative Parents: Organic sulfuric acids and derivatives Guanidines Carboximidamides Organopnictogen compounds Organic oxides Imines Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Organic sulfate salt - Organic sulfuric acid or derivatives - Guanidine - Carboximidamide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Imine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic sulfate salts. These are organic compounds containing a sulfate ion.
• 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

• Sensitivity: Moisture sensitive.
• Molecular Weight: 272.330 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 272.127 Da
• Monoisotopic Mass: 272.127 Da
• Topological Polar Surface Area: 189.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 138.000
• 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: 3

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