Glycine tert butyl ester hydrochloride - ≥98% , CAS No.27532-96-3

CAS: 27532-96-3 Cat. No.: G109218 Molecular Weight: 167.63 Beilstein Registry Number: 3989048 EC Number: 608-108-5

GRADE & PURITY ≥98%

Synonyms

1,1-dimethylethyl glycinate hydrochloride | 2-(tert-butylamino)acetic acid hydrochloride;Glycine tert-Butyl Ester Hydrochloride | AS-12234 | M03023 | tert-Butyl glycinate--hydrogen chloride (1/1) | glycine tert-butyl ester hydrochloride salt | glycine ter

Storage

Room temperature,Argon charged,Desiccated,Cool

Shipped In

Normal

Specifications

Synonyms

1, 1-dimethylethyl glycinate hydrochloride | 2-(tert-butylamino)acetic acid hydrochloride;Glycine tert-Butyl Ester Hydrochloride | AS-12234 | M03023 | tert-Butyl glycinate--hydrogen chloride (1/1) | glycine tert-butyl ester hydrochloride salt | glycine ter

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged, Desiccated, Cool

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488192337
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192337
• Canonical Smiles: CC(C)(C)OC(=O)CN.Cl
• IUPAC Name: tert-butyl 2-aminoacetate;hydrochloride
• InChIKey: OSWULUXZFOQIRU-UHFFFAOYSA-N
• INCHI: 1S/C6H13NO2.ClH/c1-6(2,3)9-5(8)4-7;/h4,7H2,1-3H3;1H
• Isomeric SMILES: CC(C)(C)OC(=O)CN.Cl
• WGK Germany: 3
• Molecular Weight: 167.63
• Beilstein: 3989048
• Reaxy-Rn: 3989048
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3989048&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid esters
• Alternative Parents: Carboxylic acid esters Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Primary amine - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• 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 and water
• Sensitivity: Moisture sensitive
• Melt Point(°C): 141-143°C
• Molecular Weight: 167.630 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 167.071 Da
• Monoisotopic Mass: 167.071 Da
• Topological Polar Surface Area: 52.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 104.000
• 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: 2

XLogP3