[(tert-Butoxycarbonyl)aminooxy]acetic Acid - ≥98%(T) , CAS No.42989-85-5

CAS: 42989-85-5 Cat. No.: T162088 Molecular Weight: 191.18 Beilstein Registry Number: 6137650 EC Number: 628-980-0 PubChem CID: 2755974

GRADE & PURITY ≥98%(T)

Synonyms

N-Boc-(carboxymethoxy)amine | (Boc-aminoxy)acetic acid | FT-0662558 | HY-W019623 | 3-Phenyl-1-(pyridin-2-yl)benzo[4,5]furo[3,2-c]pyridine | AKOS009156496 | B3338 | tert-butyloxycarbonylaminoxy acetic acid | EN300-227480 | (Boc-aminooxy)acetic acid, >=98.0

Storage

Room temperature

Shipped In

Normal

Overview

(Boc-aminooxy)acetic acid was used in the preparation of Boc-aminooxy tetra(ethylene glycol).

Specifications

Synonyms

N-Boc-(carboxymethoxy)amine | (Boc-aminoxy)acetic acid | FT-0662558 | HY-W019623 | 3-Phenyl-1-(pyridin-2-yl)benzo[4, 5]furo[3, 2-c]pyridine | AKOS009156496 | B3338 | tert-butyloxycarbonylaminoxy acetic acid | EN300-227480 | (Boc-aminooxy)acetic acid, >=98.0

Specifications & Purity

≥98%(T)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(T)

Names and Identifiers

• Pubchem Sid: 488192982
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192982
• Canonical Smiles: CC(C)(C)OC(=O)NOCC(=O)O
• IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetic acid
• InChIKey: QBXODCKYUZNZCY-UHFFFAOYSA-N
• INCHI: 1S/C7H13NO5/c1-7(2,3)13-6(11)8-12-4-5(9)10/h4H2,1-3H3,(H,8,11)(H,9,10)
• Isomeric SMILES: CC(C)(C)OC(=O)NOCC(=O)O
• WGK Germany: 3
• PubChem CID: 2755974
• Molecular Weight: 191.18
• Beilstein: 6137650
• Reaxy-Rn: 6137646

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic carbonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic carbonic acids and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic carbonic acids and derivatives
• Alternative Parents: Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carbonic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - 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 organic carbonic acids and derivatives. These are compounds comprising the organic carbonic acid 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.
• Melt Point(°C): ~115°C(dec.)
• Molecular Weight: 191.180 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 191.079 Da
• Monoisotopic Mass: 191.079 Da
• Topological Polar Surface Area: 84.900 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 196.000
• 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