N-(Triethoxysilylpropyl)urea - 40.0 - 50.0 % in methanol , CAS No.23779-32-0

CAS: 23779-32-0 Cat. No.: T107387 Molecular Weight: 264.4 EC Number: 245-876-7

GRADE & PURITY 40.0 - 50.0 % in methanol

Synonyms

AY-43-031 | 3-(1H-lndol-3-yl)-3-oxo-propionitrile | MFCD00047877 | n-(triethoxysilylpropyl)ure | Urea, N-(3-(triethoxysilyl)propyl)- | (3-(Triethoxysilyl)propyl)urea | DSSTox_CID_24493 | HMS2166G16 | NCGC00248024-01 | Tox21_301809 | N-(Triethoxysilylpropy

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

AY-43-031 | 3-(1H-lndol-3-yl)-3-oxo-propionitrile | MFCD00047877 | n-(triethoxysilylpropyl)ure | Urea, N-(3-(triethoxysilyl)propyl)- | (3-(Triethoxysilyl)propyl)urea | DSSTox_CID_24493 | HMS2166G16 | NCGC00248024-01 | Tox21_301809 | N-(Triethoxysilylpropy

Specifications & Purity

40.0 - 50.0 % in methanol

Storage

Protected from light, Room temperature, Argon charged

Shipped In

Normal

Names and Identifiers

• Pubchem Sid: 504756021
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756021
• Canonical Smiles: CCO[Si](CCCNC(=O)N)(OCC)OCC
• IUPAC Name: 3-triethoxysilylpropylurea
• InChIKey: LVNLBBGBASVLLI-UHFFFAOYSA-N
• INCHI: 1S/C10H24N2O4Si/c1-4-14-17(15-5-2,16-6-3)9-7-8-12-10(11)13/h4-9H2,1-3H3,(H3,11,12,13)
• Isomeric SMILES: CCO[Si](CCCNC(=O)N)(OCC)OCC
• Molecular Weight: 264.4
• Reaxy-Rn: 13909346

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Class Organometalloid compounds
      • Subclass Organosilicon compounds
        • Level5 Alkoxysilanes
          • Level6 Trialkoxysilanes

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Class: Organometalloid compounds
• Subclass: Organosilicon compounds
• Intermediate Tree Nodes: Alkoxysilanes
• Direct Parent: Trialkoxysilanes
• Alternative Parents: Ureas Silyl ethers Organoheterosilanes Organic metalloid salts Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trialkoxysilane - Carbonic acid derivative - Urea - Silyl ether - Organoheterosilane - Organic metalloid salt - Carbonyl group - Hydrocarbon derivative - Organic salt - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as trialkoxysilanes. These are organosilicon compounds with the general formula RO[Si](R')(OR'')OR''' (R-R''' = aliphatic organyl group).
• 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

• Solubility: Soluble in Alcohol
• Sensitivity: Light & Moisture sensitive.
• Flash Point(°F): 57.2°F
• Flash Point(°C): 14°C
• Molecular Weight: 264.390 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 264.151 Da
• Monoisotopic Mass: 264.151 Da
• Topological Polar Surface Area: 82.800 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 199.000
• 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: 1

XLogP3

References

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