N-(tert-Butoxycarbonyl)iminodiacetic Acid - ≥98% , CAS No.56074-20-5

CAS: 56074-20-5 Cat. No.: N159196 Molecular Weight: 233.22 Beilstein Registry Number: 4435230 EC Number: 807-981-1

GRADE & PURITY ≥98%

Synonyms

Boc-iminodiacetic acid | SCHEMBL78691 | BOC-IMINODIACETICACID | MFCD00800351 | DTXSID40373169 | Boc-Ida-OH | (Boc-imino)diacetic Acid | 3-(tert-Butoxycarbonyl)-3-azapentanedioic acid | AKOS009158888 | N-Boc-iminodiacetic acid, >=96.0% (HPLC) | 2,2'-(tert-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

Boc-iminodiacetic acid | SCHEMBL78691 | BOC-IMINODIACETICACID | MFCD00800351 | DTXSID40373169 | Boc-Ida-OH | (Boc-imino)diacetic Acid | 3-(tert-Butoxycarbonyl)-3-azapentanedioic acid | AKOS009158888 | N-Boc-iminodiacetic acid, >=96.0% (HPLC) | 2, 2'-(tert-

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: 504761428
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761428
• Canonical Smiles: CC(C)(C)OC(=O)N(CC(=O)O)CC(=O)O
• IUPAC Name: 2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
• InChIKey: QPGIJQUTGABQLQ-UHFFFAOYSA-N
• INCHI: 1S/C9H15NO6/c1-9(2,3)16-8(15)10(4-6(11)12)5-7(13)14/h4-5H2,1-3H3,(H,11,12)(H,13,14)
• Isomeric SMILES: CC(C)(C)OC(=O)N(CC(=O)O)CC(=O)O
• WGK Germany: 3
• Molecular Weight: 233.22
• Beilstein: 4435230
• Reaxy-Rn: 4435233
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4435233&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

• 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
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Dicarboxylic acids and derivatives Carbamate esters Organic carbonic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid or derivatives - Dicarboxylic acid or derivatives - Carbamic acid ester - Carbonic acid derivative - Carboxylic acid - 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 alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), 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 water
• Sensitivity: Heat Sensitive
• Melt Point(°C): 126 °C(dec.)
• Molecular Weight: 233.220 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 233.09 Da
• Monoisotopic Mass: 233.09 Da
• Topological Polar Surface Area: 104.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 277.000
• 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