trans-3-(tert-Butyldimethylsilyloxy)-N,N-dimethyl-1,3-butadien-1-amine - ≥95% , CAS No.194233-66-4

CAS: 194233-66-4 Cat. No.: T336646 Molecular Weight: 227.42 EC Number: 626-684-6 PubChem CID: 6060661

GRADE & PURITY ≥95%

Synonyms

(1E)-3-[tert-butyl(dimethyl)silyl]oxy-N,N-dimethyl-buta-1,3-dien-1-amine | F17336 | EN300-6503845 | [(1E)-3-[(TERT-BUTYLDIMETHYLSILYL)OXY]BUTA-1,3-DIEN-1-YL]DIMETHYLAMINE | Trans-3-(Tert-Butyldimethylsilyloxy)-N,N-Dimethyl-1,3-Butadiene-1-Amine | B5597 |

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

(1E)-3-[tert-butyl(dimethyl)silyl]oxy-N, N-dimethyl-buta-1, 3-dien-1-amine | F17336 | EN300-6503845 | [(1E)-3-[(TERT-BUTYLDIMETHYLSILYL)OXY]BUTA-1, 3-DIEN-1-YL]DIMETHYLAMINE | Trans-3-(Tert-Butyldimethylsilyloxy)-N, N-Dimethyl-1, 3-Butadiene-1-Amine | B5597 |

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Protected from light, 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: CC(C)(C)[Si](C)(C)OC(=C)C=CN(C)C
• IUPAC Name: (1E)-3-[tert-butyl(dimethyl)silyl]oxy-N,N-dimethylbuta-1,3-dien-1-amine
• InChIKey: NSCKABIMFIKUEF-MDZDMXLPSA-N
• INCHI: 1S/C12H25NOSi/c1-11(9-10-13(5)6)14-15(7,8)12(2,3)4/h9-10H,1H2,2-8H3/b10-9+
• Isomeric SMILES: CC(C)(C)[Si](C)(C)OC(=C)/C=C/N(C)C
• WGK Germany: 3
• PubChem CID: 6060661
• Molecular Weight: 227.42

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Class Organometalloid compounds
      • Subclass Organosilicon compounds
        • Level5 Organoheterosilanes
          • Level6 Trialkylheterosilanes

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Class: Organometalloid compounds
• Subclass: Organosilicon compounds
• Intermediate Tree Nodes: Organoheterosilanes
• Direct Parent: Trialkylheterosilanes
• Alternative Parents: Trialkylamines Silyl enol ethers Organic metalloid salts Enamines Allylamines Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trialkylheterosilane - Tertiary aliphatic amine - Tertiary amine - Allylamine - Organic metalloid salt - Silyl enol ether - Enamine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as trialkylheterosilanes. These are organoheterosilanes, bearing a silicon atom linked to three alkyl groups and one heteroatom.
• 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: light sensitive;Moisture sensitive;heat sensitive
• Refractive Index: 1.49
• Flash Point(°C): 93 °C
• Boil Point(°C): 234° C (lit.)
• Molecular Weight: 227.420 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 227.171 Da
• Monoisotopic Mass: 227.171 Da
• Topological Polar Surface Area: 12.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 249.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

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