N,N-Dimethylformamide Dineopentyl Acetal [for Esterification] - ≥96% , CAS No.4909-78-8

CAS: 4909-78-8 Cat. No.: N159843 Molecular Weight: 231.38 Beilstein Registry Number: 741992 EC Number: 225-536-4

GRADE & PURITY ≥96%

Synonyms

AKOS024348866 | EINECS 225-536-4 | N,N-DIMETHYLFORMAMIDEDINEOPENTYLACETAL | [bis(2,2-dimethylpropoxy)methyl]dimethylamine | AS-64795 | N,N-Dimethylformamide dineopentyl acetal | SCHEMBL132714 | Methanamine, 1,1-bis(2,2-dimethylpropoxy)-N,N-dimethyl- | dim

Storage

Room temperature,Argon charged,Cool

Shipped In

Normal

Specifications

Synonyms

AKOS024348866 | EINECS 225-536-4 | N, N-DIMETHYLFORMAMIDEDINEOPENTYLACETAL | [bis(2, 2-dimethylpropoxy)methyl]dimethylamine | AS-64795 | N, N-Dimethylformamide dineopentyl acetal | SCHEMBL132714 | Methanamine, 1, 1-bis(2, 2-dimethylpropoxy)-N, N-dimethyl- | dim

Specifications & Purity

≥96%

Storage

Room temperature, Argon charged, Cool

Shipped In

Normal

Purity

≥96%

Names and Identifiers

• Canonical Smiles: CC(C)(C)COC(N(C)C)OCC(C)(C)C
• IUPAC Name: 1,1-bis(2,2-dimethylpropoxy)-N,N-dimethylmethanamine
• InChIKey: KEXFRBIOHPDZQM-UHFFFAOYSA-N
• INCHI: 1S/C13H29NO2/c1-12(2,3)9-15-11(14(7)8)16-10-13(4,5)6/h11H,9-10H2,1-8H3
• Isomeric SMILES: CC(C)(C)COC(N(C)C)OCC(C)(C)C
• WGK Germany: 3
• Molecular Weight: 231.38
• Beilstein: 741992
• Reaxy-Rn: 741992
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=741992&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Orthocarboxylic acid derivatives
      • Subclass Carboxylic acid amide acetals

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Orthocarboxylic acid derivatives
• Subclass: Carboxylic acid amide acetals
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid amide acetals
• Alternative Parents: Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Amide acetal - 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 carboxylic acid amide acetals. These are carboxylic acid derivatives two hydroxyl groups attached to a carbon atom, which in turn is linked to a nitrogen atom(substituted or not).
• 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: 1.41
• Flash Point(°F): 125.6 °F
• Flash Point(°C): 63°C(lit.)
• Boil Point(°C): 87°C/10mmHg(lit.)
• Molecular Weight: 231.370 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 231.22 Da
• Monoisotopic Mass: 231.22 Da
• Topological Polar Surface Area: 21.700 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 171.000
• 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