Silanetriamine, N,N,N',N',N'',N''-hexamethyl-1-phenyl- , CAS No.4840-75-9

CAS: 4840-75-9 Cat. No.: S1043281 Molecular Weight: 237.422 EC Number: 225-427-1 PubChem CID: 78557

Storage

Room temperature

Specifications

Storage

Room temperature

Names and Identifiers

• Canonical Smiles: CN(C)[Si](C1=CC=CC=C1)(N(C)C)N(C)C
• IUPAC Name: N-[bis(dimethylamino)-phenylsilyl]-N-methylmethanamine
• InChIKey: VJDVRUZAQRISHN-UHFFFAOYSA-N
• INCHI: 1S/C12H23N3Si/c1-13(2)16(14(3)4,15(5)6)12-10-8-7-9-11-12/h7-11H,1-6H3
• Isomeric SMILES: CN(C)[Si](C1=CC=CC=C1)(N(C)C)N(C)C
• PubChem CID: 78557
• Molecular Weight: 237.422

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Organoheterosilanes Organic metalloid salts N-silyl compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - N-silyl compound - Organoheterosilane - Organic metalloid salt - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Organosilicon compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

• Boil Point(°C): 143°/32mm
• Molecular Weight: 237.420 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 237.166 Da
• Monoisotopic Mass: 237.166 Da
• Topological Polar Surface Area: 9.700 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 189.000
• 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

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