2,3-Dihydroxy-N,N,N-trimethylpropan-1-aminium chloride - ≥95% , CAS No.34004-36-9

CAS: 34004-36-9 Cat. No.: D588784 Molecular Weight: 169.65 EC Number: 251-783-2

GRADE & PURITY ≥95%

Synonyms

Dihydroxypropyltrimonium chloride | 2,3-dihy-droxypropyl trimethylammonium chloride | MFCD01668726 | Q27291567 | 2,3-dihydroxy-n,n,n-trimethylpropan-1-aminiumchloride | Dihydroxypropyltrimonium chloride;2,3-Dihydroxy-N,N,N-trimethylpropan-1-aminium chlori

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

Dihydroxypropyltrimonium chloride | 2, 3-dihy-droxypropyl trimethylammonium chloride | MFCD01668726 | Q27291567 | 2, 3-dihydroxy-n, n, n-trimethylpropan-1-aminiumchloride | Dihydroxypropyltrimonium chloride;2, 3-Dihydroxy-N, N, N-trimethylpropan-1-aminium chlori

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C[N+](C)(C)CC(CO)O.[Cl-]
• IUPAC Name: 2,3-dihydroxypropyl(trimethyl)azanium;chloride
• InChIKey: YSRQRFIVCMIJJE-UHFFFAOYSA-M
• INCHI: 1S/C6H16NO2.ClH/c1-7(2,3)4-6(9)5-8;/h6,8-9H,4-5H2,1-3H3;1H/q+1;/p-1
• Isomeric SMILES: C[N+](C)(C)CC(CO)O.[Cl-]
• Molecular Weight: 169.65
• Reaxy-Rn: 3701368
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3701368&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: Cholines
• Alternative Parents: Tetraalkylammonium salts 1,3-aminoalcohols Secondary alcohols 1,2-diols 1,2-aminoalcohols Primary alcohols Organopnictogen compounds Organic zwitterions Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Choline - Tetraalkylammonium salt - 1,3-aminoalcohol - 1,2-aminoalcohol - 1,2-diol - Secondary alcohol - Organic oxygen compound - Organic zwitterion - Organic salt - Primary alcohol - Organooxygen compound - Organic chloride salt - Amine - Alcohol - Hydrocarbon derivative - Organopnictogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as cholines. These are organic compounds containing a N,N,N-trimethylethanolammonium cation.
• 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: 169.650 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 169.087 Da
• Monoisotopic Mass: 169.087 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 77.600
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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

1. Ling Yang, Xi Chen, Zhonghua Lv, Chunjia Luo, Min Chao, Pengfei Zhang, Luke Yan.  (2024)  Dynamic covalent interface engineering for 2D MXene membrane with interchangeable surface groups and tunable layer spacing for water treatment.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2024.127525]