N-[(3-trimethoxysilyl)propyl]ethylenediamine Triacetic acid Trisodium salt - 35% in Water , CAS No.128850-89-5

CAS: 128850-89-5 Cat. No.: N302332 Molecular Weight: 462.41 EC Number: 807-701-8

GRADE & PURITY 35% in Water

Synonyms

N-[3-(Trimethoxysilyl)propyl]ethylenediaminetriacetic acid trisodium salt | N-[3-Trimethoxysilyl)propyl]ethylenediamine triacetic acid trisodium salt, 45% in water | trisodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(3-trimethoxysilylpropyl)amino]acetate

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

N-[3-(Trimethoxysilyl)propyl]ethylenediaminetriacetic acid trisodium salt | N-[3-Trimethoxysilyl)propyl]ethylenediamine triacetic acid trisodium salt, 45% in water | trisodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(3-trimethoxysilylpropyl)amino]acetate

Specifications & Purity

35% in Water

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Pubchem Sid: 504761584
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761584
• Canonical Smiles: CO[Si](CCCN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])(OC)OC.[Na+].[Na+].[Na+]
• IUPAC Name: trisodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(3-trimethoxysilylpropyl)amino]acetate
• InChIKey: FRGBDYDAIWEXJX-UHFFFAOYSA-K
• INCHI: 1S/C14H28N2O9Si.3Na/c1-23-26(24-2,25-3)8-4-5-15(9-12(17)18)6-7-16(10-13(19)20)11-14(21)22;;;/h4-11H2,1-3H3,(H,17,18)(H,19,20)(H,21,22);;;/q;3*+1/p-3
• Isomeric SMILES: CO[Si](CCCN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])(OC)OC.[Na+].[Na+].[Na+]
• Molecular Weight: 462.41
• Reaxy-Rn: 12190762
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12190762&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acids
• Alternative Parents: Tricarboxylic acids and derivatives Trialkoxysilanes Trialkylamines Silyl ethers Carboxylic acid salts Amino acids Organoheterosilanes Organic metalloid salts Carboxylic acids Organopnictogen compounds Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid - Tricarboxylic acid or derivatives - Trialkoxysilane - Alkoxysilane - Carboxylic acid salt - Tertiary amine - Tertiary aliphatic amine - Amino acid - Silyl ether - Carboxylic acid - Organoheterosilane - Organic alkali metal salt - Organic metalloid salt - Amine - Hydrocarbon derivative - Organosilicon compound - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic zwitterion - Organic salt - Organic sodium salt - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
• 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

• Flash Point(°C): 272.4°C
• Boil Point(°C): 526.8°C at 760 mmHg
• Molecular Weight: 462.410 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 13
• Exact Mass: 462.102 Da
• Monoisotopic Mass: 462.102 Da
• Topological Polar Surface Area: 155.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 419.000
• 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: 4

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