N-(1,1,3,3-Tetramethylbutyl)acrylamide (stabilized with MEHQ) - ≥98% , CAS No.4223-03-4

CAS: 4223-03-4 Cat. No.: N303694 Molecular Weight: 183.3 EC Number: 224-169-7

GRADE & PURITY ≥98%

Synonyms

(5'alpha)-12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)ergotaman-3',6',18-trione | Q27237258 | BRN 1759951 | N-(1,1,3,3-Tetramethylbutyl)acrylamide, >/=95%,stabilized with MEHQ | T3861 | DTXSID5027564 | AS-57769 | F21302 | UNII-0U7G677BFR | tert-Octyla

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

(5'alpha)-12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)ergotaman-3', 6', 18-trione | Q27237258 | BRN 1759951 | N-(1, 1, 3, 3-Tetramethylbutyl)acrylamide, >/=95%, stabilized with MEHQ | T3861 | DTXSID5027564 | AS-57769 | F21302 | UNII-0U7G677BFR | tert-Octyla

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488188474
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188474
• Canonical Smiles: CC(C)(C)CC(C)(C)NC(=O)C=C
• IUPAC Name: N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide
• InChIKey: YRDNVESFWXDNSI-UHFFFAOYSA-N
• INCHI: 1S/C11H21NO/c1-7-9(13)12-11(5,6)8-10(2,3)4/h7H,1,8H2,2-6H3,(H,12,13)
• Isomeric SMILES: CC(C)(C)CC(C)(C)NC(=O)C=C
• Molecular Weight: 183.3
• Reaxy-Rn: 1759951
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1759951&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Acrylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Acrylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Acrylic acids and derivatives
• Alternative Parents: Secondary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acrylic acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as acrylic acids and derivatives. These are organic compounds containing acrylic acid CH2=CHCO2H or a derivative thereof.
• 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

• Solubility: Soluble in Methanol
• Sensitivity: Heat Sensitive
• Boil Point(°C): 142°C/20mmHg(lit.)
• Melt Point(°C): 63 °C
• Molecular Weight: 183.290 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 183.162 Da
• Monoisotopic Mass: 183.162 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 199.000
• 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