N-[3-(Trimethoxysilyl)propyl]butan-1-amine - ≥97% , CAS No.31024-56-3

CAS: 31024-56-3 Cat. No.: N405067 Molecular Weight: 235.4 EC Number: 250-437-8

GRADE & PURITY ≥97%

Synonyms

T3733 | SY246602 | FT-0698209 | n-(n-butyl)-3-amino propyltrimethoxysilane | MFCD02313756 | 1-Butanamine, N-[3-(trimethoxysilyl)propyl]- | NABILONE-DEASCHEDULEII | N-(3-(Trimethoxysilyl)propyl)butylamine | 1-Butanamine, N-(3-(trimethoxysilyl)propyl)- | EI

Storage

Argon charged,Room temperature

Specifications

Synonyms

T3733 | SY246602 | FT-0698209 | n-(n-butyl)-3-amino propyltrimethoxysilane | MFCD02313756 | 1-Butanamine, N-[3-(trimethoxysilyl)propyl]- | NABILONE-DEASCHEDULEII | N-(3-(Trimethoxysilyl)propyl)butylamine | 1-Butanamine, N-(3-(trimethoxysilyl)propyl)- | EI

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488188314
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188314
• Canonical Smiles: CCCCNCCC[Si](OC)(OC)OC
• IUPAC Name: N-(3-trimethoxysilylpropyl)butan-1-amine
• InChIKey: XCOASYLMDUQBHW-UHFFFAOYSA-N
• INCHI: 1S/C10H25NO3Si/c1-5-6-8-11-9-7-10-15(12-2,13-3)14-4/h11H,5-10H2,1-4H3
• Isomeric SMILES: CCCCNCCC[Si](OC)(OC)OC
• Molecular Weight: 235.4
• Reaxy-Rn: 2076788
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2076788&ln=

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: Silyl ethers Organoheterosilanes Organic metalloid salts Dialkylamines Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trialkoxysilane - Silyl ether - Organoheterosilane - Organic metalloid salt - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organonitrogen compound - Amine - 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

• Sensitivity: Moisture Sensitive
• Refractive Index: 1.43
• Flash Point(°C): 101 °C
• Boil Point(°C): 102 °C/3.5 mmHg
• Molecular Weight: 235.400 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 235.16 Da
• Monoisotopic Mass: 235.16 Da
• Topological Polar Surface Area: 39.700 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 134.000
• 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. Yongkui Chen, Zhiyong Li, Huiyong Wang, Yuanchao Pei, Yunlei Shi, Jianji Wang.  (2018)  Visible Light-Controlled Inversion of Pickering Emulsions Stabilized by Functional Silica Microspheres.  LANGMUIR,      [PMID:29382203] [10.1021/acs.langmuir.7b03822]