Glycine isopropyl ester hydrochloride - ≥98% , CAS No.14019-62-6

CAS: 14019-62-6 Cat. No.: G355829 Molecular Weight: 153.61 EC Number: 879-885-8

GRADE & PURITY ≥98%

Synonyms

Isopropyl 2-aminoacetate hydrochloride? | SY109391 | Z1245635749 | J-521563 | propan-2-yl 2-aminoacetate;hydrochloride | H-Gly-OiPr.HCl | Glycine, 1-methylethyl ester, hydrochloride | FD21588 | AM81795 | MFCD00151826 | isopropyl glycinate hydrochloride |

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

Isopropyl 2-aminoacetate hydrochloride? | SY109391 | Z1245635749 | J-521563 | propan-2-yl 2-aminoacetate;hydrochloride | H-Gly-OiPr.HCl | Glycine, 1-methylethyl ester, hydrochloride | FD21588 | AM81795 | MFCD00151826 | isopropyl glycinate hydrochloride |

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC(C)OC(=O)CN.Cl
• IUPAC Name: propan-2-yl 2-aminoacetate;hydrochloride
• InChIKey: UBKCIXXGQRZHRO-UHFFFAOYSA-N
• INCHI: 1S/C5H11NO2.ClH/c1-4(2)8-5(7)3-6;/h4H,3,6H2,1-2H3;1H
• Isomeric SMILES: CC(C)OC(=O)CN.Cl
• Alternate CAS: 13048-66-3
• Molecular Weight: 153.61
• Reaxy-Rn: 3684019
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3684019&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 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 oxygen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - 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

• Molecular Weight: 153.610 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 153.056 Da
• Monoisotopic Mass: 153.056 Da
• Topological Polar Surface Area: 52.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 80.500
• 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

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