Trimethoxy[3-(phenylamino)propyl]silane - ≥98%(T) , CAS No.3068-76-6

CAS: 3068-76-6 Cat. No.: T162286 Molecular Weight: 255.39 Beilstein Registry Number: 8620050 EC Number: 688-129-4 PubChem CID: 76476

GRADE & PURITY ≥98%(T)

Synonyms

AKOS015850835 | N-(3-(Trimethoxysilyl)propyl)aniline | 3-anilinopropyltrimethoxysilane | FT-0613869 | 3-phenylaminopropyltrimethoxysilane | C12H21NO3Si | SCHEMBL41158 | DTXSID6044648 | NCGC00256813-01 | Silane, (3-anilinopropyl)trimethoxy- | A876123

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

N-[3-(Trimethoxysilyl)propyl]aniline (TMSPA) is a silane based propylaniline that can be used as a conducting polymer (CP). It can modify the surface characteristics and exhibits hydrophobic properties. It also enhances the wettability, dispersion of nanomaterials and selective absorption.

Specifications

Synonyms

AKOS015850835 | N-(3-(Trimethoxysilyl)propyl)aniline | 3-anilinopropyltrimethoxysilane | FT-0613869 | 3-phenylaminopropyltrimethoxysilane | C12H21NO3Si | SCHEMBL41158 | DTXSID6044648 | NCGC00256813-01 | Silane, (3-anilinopropyl)trimethoxy- | A876123

Specifications & Purity

≥98%(T)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(T)

Names and Identifiers

• Pubchem Sid: 488185275
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185275
• Canonical Smiles: CO[Si](CCCNC1=CC=CC=C1)(OC)OC
• IUPAC Name: N-(3-trimethoxysilylpropyl)aniline
• InChIKey: KBJFYLLAMSZSOG-UHFFFAOYSA-N
• INCHI: 1S/C12H21NO3Si/c1-14-17(15-2,16-3)11-7-10-13-12-8-5-4-6-9-12/h4-6,8-9,13H,7,10-11H2,1-3H3
• Isomeric SMILES: CO[Si](CCCNC1=CC=CC=C1)(OC)OC
• WGK Germany: 2
• PubChem CID: 76476
• Molecular Weight: 255.39
• Beilstein: 8620050
• Reaxy-Rn: 8620045

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Aralkylamines
          • Level6 Phenylalkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Aralkylamines
• Direct Parent: Phenylalkylamines
• Alternative Parents: Trialkoxysilanes Aniline and substituted anilines Secondary alkylarylamines Silyl ethers Organoheterosilanes Organic metalloid salts Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Trialkoxysilane - Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - Alkoxysilane - Silyl ether - Secondary amine - Organoheterosilane - Organic metalloid salt - Organic oxygen compound - Organosilicon compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organic salt - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylalkylamines. These are organic amines where the amine group is secondary and linked on one end to a phenyl group and on the other end, to an alkyl 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 & Light sensitive.
• Refractive Index: 1.51
• Flash Point(°F): 230 °F
• Flash Point(°C): 110 °C
• Boil Point(°C): 310 °C
• Molecular Weight: 255.380 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 255.129 Da
• Monoisotopic Mass: 255.129 Da
• Topological Polar Surface Area: 39.700 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 186.000
• 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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