tert-Butoxy bis(dimethylamino)methane - ≥90% , CAS No.5815-08-7

CAS: 5815-08-7 Cat. No.: I171085 Molecular Weight: 174.28 EC Number: 227-383-9

GRADE & PURITY ≥90%

Synonyms

tert-butoxybis(dimethylamino) methane | 3-Pyridinecarboxamide, 1,4-dihydro-1-(phenylmethyl)- | t-butoxybis(dimethyl amino)methane | tert-Butoxy-bis(dimethylamino)methane, Tech. | 1-(1,1-DIMETHYLETHOXY)-N,N,N',N'-TETRAMETHYLMETHANEDIAMINE | 1-(1,1-DIMETHYL

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

tert-butoxybis(dimethylamino) methane | 3-Pyridinecarboxamide, 1, 4-dihydro-1-(phenylmethyl)- | t-butoxybis(dimethyl amino)methane | tert-Butoxy-bis(dimethylamino)methane, Tech. | 1-(1, 1-DIMETHYLETHOXY)-N, N, N', N'-TETRAMETHYLMETHANEDIAMINE | 1-(1, 1-DIMETHYL

Specifications & Purity

≥90%

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

≥90%

Names and Identifiers

• Canonical Smiles: CC(C)(C)OC(N(C)C)N(C)C
• IUPAC Name: N,N,N',N'-tetramethyl-1-[(2-methylpropan-2-yl)oxy]methanediamine
• InChIKey: HXRAMSFGUAOAJR-UHFFFAOYSA-N
• INCHI: 1S/C9H22N2O/c1-9(2,3)12-8(10(4)5)11(6)7/h8H,1-7H3
• Isomeric SMILES: CC(C)(C)OC(N(C)C)N(C)C
• Molecular Weight: 174.28
• Reaxy-Rn: 1901973
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1901973&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Orthocarboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Orthocarboxylic acid derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Orthocarboxylic acid derivatives
• Alternative Parents: Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Orthocarboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as orthocarboxylic acid derivatives. These are organic compounds containing the orhtocarboxylic acid functional group, with the RC(X)(X)X (R=H, alkyl, aryl; X=OH, alkoxy, aryloxy, substituted amino, etc.).
• 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

• Refractive Index: n20/D 1.422 (lit.)
• Boil Point(°C): 50-55 °C/15 mmHg (lit.)
• Molecular Weight: 174.280 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 174.173 Da
• Monoisotopic Mass: 174.173 Da
• Topological Polar Surface Area: 15.700 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 119.000
• 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