[3-(Methacryloylamino)propyl]trimethylammonium chloride solution - 45.0 - 55.0 % Deionized water as solvent , CAS No.51410-72-1

CAS: 51410-72-1 Cat. No.: M170699 Molecular Weight: 220.74 EC Number: 257-182-1

GRADE & PURITY 45.0 - 55.0 % Deionized water as solvent

Synonyms

MAPTAC solution | 3-Methacrylamido-N,N,N-trimethylpropan-1-aminium chloride solution | Methacrylamidopropyltrimethylammonium chloride solutio

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

MAPTAC solution | 3-Methacrylamido-N, N, N-trimethylpropan-1-aminium chloride solution | Methacrylamidopropyltrimethylammonium chloride solutio

Specifications & Purity

45.0 - 55.0 % Deionized water as solvent

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Pubchem Sid: 488187390
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187390
• Canonical Smiles: CC(=C)C(=O)NCCC[N+](C)(C)C.[Cl-]
• IUPAC Name: trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;chloride
• InChIKey: UZNHKBFIBYXPDV-UHFFFAOYSA-N
• INCHI: 1S/C10H20N2O.ClH/c1-9(2)10(13)11-7-6-8-12(3,4)5;/h1,6-8H2,2-5H3;1H
• Isomeric SMILES: CC(=C)C(=O)NCCC[N+](C)(C)C.[Cl-]
• Molecular Weight: 220.74
• Reaxy-Rn: 8948657
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8948657&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Quaternary ammonium salts

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetraalkylammonium salts
• Alternative Parents: Secondary carboxylic acid amides Organopnictogen compounds Organic zwitterions Organic oxides Organic chloride salts Hydrocarbon derivatives Carbonyl compounds Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organic zwitterion - Organooxygen compound - Carbonyl group - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as tetraalkylammonium salts. These are organonitrogen compounds containing a quaternary ammonium substituted with four alkyl chains.
• 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

• Refractive Index: 1.43
• Molecular Weight: 220.740 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 220.134 Da
• Monoisotopic Mass: 220.134 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 192.000
• 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: 2

XLogP3

References

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