1-(3-(Trimethoxysilyl)propyl)-1H-imidazole - ≥95% , CAS No.70851-51-3

CAS: 70851-51-3 Cat. No.: T589957 Molecular Weight: 230.34 EC Number: 274-937-0

GRADE & PURITY ≥95%

Synonyms

DTXSID7072175 | 1H-Imidazole, 1-[3-(trimethoxysilyl)propyl]- | EINECS 274-937-0 | F71641 | 1-(3-(Trimethoxysilyl)propyl)-1H-imidazole | FT-0629328 | LLIFKTIQXYJAHL-UHFFFAOYSA- | SCHEMBL406663 | InChI=1/C9H18N2O3Si/c1-12-15(13-2,14-3)8-4-6-11-7-5-10-9-11/h

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

DTXSID7072175 | 1H-Imidazole, 1-[3-(trimethoxysilyl)propyl]- | EINECS 274-937-0 | F71641 | 1-(3-(Trimethoxysilyl)propyl)-1H-imidazole | FT-0629328 | LLIFKTIQXYJAHL-UHFFFAOYSA- | SCHEMBL406663 | InChI=1/C9H18N2O3Si/c1-12-15(13-2, 14-3)8-4-6-11-7-5-10-9-11/h

Specifications & Purity

≥95%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504756753
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756753
• Canonical Smiles: CO[Si](CCCN1C=CN=C1)(OC)OC
• IUPAC Name: 3-imidazol-1-ylpropyl(trimethoxy)silane
• InChIKey: LLIFKTIQXYJAHL-UHFFFAOYSA-N
• INCHI: 1S/C9H18N2O3Si/c1-12-15(13-2,14-3)8-4-6-11-7-5-10-9-11/h5,7,9H,4,6,8H2,1-3H3
• Isomeric SMILES: CO[Si](CCCN1C=CN=C1)(OC)OC
• Molecular Weight: 230.34

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: N-substituted imidazoles Heteroaromatic compounds Silyl ethers Organoheterosilanes Organic metalloid salts Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Trialkoxysilane - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - Silyl ether - Organoheterosilane - Azacycle - Organic metalloid salt - Organoheterocyclic compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic 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

• Sensitivity: Moisture sensitive
• Flash Point(°C): 129 °C
• Boil Point(°C): 127 °C/1.7 mmHg
• Molecular Weight: 230.340 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 230.109 Da
• Monoisotopic Mass: 230.109 Da
• Topological Polar Surface Area: 45.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 170.000
• 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

1. Zhuoxue Li, Yunlei Shi, Yimian Ding, Dazhen Xiong, Zhiyong Li, Huiyong Wang, Jikuan Qiu, Xiaopeng Xuan, Jianji Wang.  (2024)  Zr-Based MOF-Stabilized CO2-Responsive Pickering Emulsions for Efficient Reduction of Nitroarenes.  LANGMUIR,      [PMID:38307089] [10.1021/acs.langmuir.3c03564]