2,2,4,4-Tetramethyl-3-pentanone Imine - ≥96% , CAS No.29097-52-7

CAS: 29097-52-7 Cat. No.: T162311 Molecular Weight: 141.26 EC Number: 624-879-0

GRADE & PURITY ≥96%

Synonyms

2,2,4,4-tetramethylpentan-3-imine | DTXSID70373112 | MFCD00216566 | 2,2,4,4-TETRAMETHYL-3-PENTANONEIMINE | D92647 | di-t-butylketone imine | Di-tert-butylmethanimine | T2989 | 3-Pentanimine, 2,2,4,4-tetramethyl- | 2,2,4,4-Tetramethyl-3-pentanone imine | B

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

2, 2, 4, 4-tetramethylpentan-3-imine | DTXSID70373112 | MFCD00216566 | 2, 2, 4, 4-TETRAMETHYL-3-PENTANONEIMINE | D92647 | di-t-butylketone imine | Di-tert-butylmethanimine | T2989 | 3-Pentanimine, 2, 2, 4, 4-tetramethyl- | 2, 2, 4, 4-Tetramethyl-3-pentanone imine | B

Specifications & Purity

≥96%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥96%

Names and Identifiers

• Canonical Smiles: CC(C)(C)C(=N)C(C)(C)C
• IUPAC Name: 2,2,4,4-tetramethylpentan-3-imine
• InChIKey: VCMKYJMEMATQPE-UHFFFAOYSA-N
• INCHI: 1S/C9H19N/c1-8(2,3)7(10)9(4,5)6/h10H,1-6H3
• Isomeric SMILES: CC(C)(C)C(=N)C(C)(C)C
• UN Number: 1993
• Packing Group: III
• Molecular Weight: 141.26
• Reaxy-Rn: 1746385

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Imines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Imines
• Intermediate Tree Nodes: Not available
• Direct Parent: Ketimines
• Alternative Parents: Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Ketimine - Organopnictogen compound - Hydrocarbon derivative - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as ketimines. These are organic compounds bearing the ketimine functional group, with the general structure R2C=NR' ( R is not a hydrogen ).
• 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: Heat sensitive;Moisture sensitive
• Refractive Index: 1.44
• Flash Point(°F): 29°C(lit.)
• Flash Point(°C): 29°C
• Boil Point(°C): 164°C(lit.)
• Molecular Weight: 141.250 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 141.152 Da
• Monoisotopic Mass: 141.152 Da
• Topological Polar Surface Area: 23.900 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 116.000
• 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