Methacrylic Acid 2-(tert-Butylamino)ethyl Ester (stabilized with MEHQ) - ≥98% , CAS No.3775-90-4

CAS: 3775-90-4 Cat. No.: B303600 Molecular Weight: 185.27 EC Number: 223-228-4

GRADE & PURITY ≥98%

Synonyms

MFCD00014997 | SCHEMBL26306 | SCHEMBL3293239 | 2-PROPENOIC ACID, 2-METHYL-, 2-((1,1- DIMETHYLETHYL)AMINO)ETHYL ESTER | BRN 1761825 | EC 223-228-4 | NCGC00256136-01 | 2-(tert-Butylamino)ethyl Methacrylate (stabilized with MEHQ) | 2-[(1,1-Dimethylethyl)amin

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonyms

MFCD00014997 | SCHEMBL26306 | SCHEMBL3293239 | 2-PROPENOIC ACID, 2-METHYL-, 2-((1, 1- DIMETHYLETHYL)AMINO)ETHYL ESTER | BRN 1761825 | EC 223-228-4 | NCGC00256136-01 | 2-(tert-Butylamino)ethyl Methacrylate (stabilized with MEHQ) | 2-[(1, 1-Dimethylethyl)amin

Specifications & Purity

≥98%

Storage

Room temperature, Desiccated

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488182549
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182549
• Canonical Smiles: CC(=C)C(=O)OCCNC(C)(C)C
• IUPAC Name: 2-(tert-butylamino)ethyl 2-methylprop-2-enoate
• InChIKey: BEWCNXNIQCLWHP-UHFFFAOYSA-N
• INCHI: 1S/C10H19NO2/c1-8(2)9(12)13-7-6-11-10(3,4)5/h11H,1,6-7H2,2-5H3
• Isomeric SMILES: CC(=C)C(=O)OCCNC(C)(C)C
• Molecular Weight: 185.27
• Reaxy-Rn: 1761825
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1761825&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid esters
          • Level6 Alpha,beta-unsaturated carboxylic esters
            • Level7 Enoate esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid esters - Alpha,beta-unsaturated carboxylic esters
• Direct Parent: Enoate esters
• Alternative Parents: Amino acids and derivatives Monocarboxylic acids and derivatives Dialkylamines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Enoate ester - Amino acid or derivatives - Secondary amine - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as enoate esters. These are an alpha,beta-unsaturated carboxylic ester of general formula R1C(R2)=C(R3)C(=O)OR4 (R4= organyl compound) in which the ester C=O function is conjugated to a C=C double bond at the alpha,beta position.
• 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: Slightly soluble in water; Degree of Solubility in water: 18 g/l 25 °C
• Sensitivity: Light sensitive
• Refractive Index: 1.442
• Flash Point(°C): 71°C(lit.)
• Boil Point(°C): 82 °C/10 mmHg
• Molecular Weight: 185.260 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 185.142 Da
• Monoisotopic Mass: 185.142 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 192.000
• 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

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