(3-((2-Aminoethyl)amino)propyl)silanetriol - 25% in water , CAS No.68400-08-8

CAS: 68400-08-8 Cat. No.: A1339081 Molecular Weight: 180.28 EC Number: 270-011-5

GRADE & PURITY 25% in water

Storage

Room temperature

Specifications

Specifications & Purity

25% in water

Storage

Room temperature

Names and Identifiers

• Canonical Smiles: C(CNCCN)C[Si](O)(O)O
• IUPAC Name: N'-(3-trihydroxysilylpropyl)ethane-1,2-diamine
• InChIKey: QNHNSPNFZFBEQR-UHFFFAOYSA-N
• INCHI: 1S/C5H16N2O3Si/c6-2-4-7-3-1-5-11(8,9)10/h7-10H,1-6H2
• Molecular Weight: 180.28

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Class Organometalloid compounds
      • Subclass Organosilicon compounds
        • Level5 Silanols
          • Level6 Monoalkylsilanetriols

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Class: Organometalloid compounds
• Subclass: Organosilicon compounds
• Intermediate Tree Nodes: Silanols
• Direct Parent: Monoalkylsilanetriols
• Alternative Parents: Polyols Organoheterosilanes Organic metalloid salts Dialkylamines Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Monoalkylsilanetriol - Organoheterosilane - Organic metalloid salt - Secondary amine - Polyol - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as monoalkylsilanetriols. These are organosilicon compounds with the general formula HO[Si](R)(OH)OH where R is an alkyl groups.
• 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

• Molecular Weight: 180.280 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 180.093 Da
• Monoisotopic Mass: 180.093 Da
• Topological Polar Surface Area: 98.700 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 96.200
• 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: 1

XLogP3