Di-tert-butyl Iminodiacetate - ≥97%(GC) , CAS No.85916-13-8

CAS: 85916-13-8 Cat. No.: D154134 Peso molecular: 245.32 Número EC: 627-807-6

GRADE & PURITY ≥97%(GC)

Synonyms

D4109 | NH-bis(C1-Boc) | SMXMBXPLRFTROI-UHFFFAOYSA-N | Di-tert-butyl 2,2'-iminobis[acetate] | HY-23641 | AB10254 | Di-tert-butyl 2,2'-azanediyldiacetate | di-tert-butyl 2,2'-iminodiacetate | Di(t-butyl) 3-azaglutarate | di-t-butyliminodiacetate | Di-tert-

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Di-tert-butyl iminodiacetate is a secondary amine.

Specifications

Sinónimos

D4109 | NH-bis(C1-Boc) | SMXMBXPLRFTROI-UHFFFAOYSA-N | Di-tert-butyl 2, 2'-iminobis[acetate] | HY-23641 | AB10254 | Di-tert-butyl 2, 2'-azanediyldiacetate | di-tert-butyl 2, 2'-iminodiacetate | Di(t-butyl) 3-azaglutarate | di-t-butyliminodiacetate | Di-tert-

Especificaciones y pureza

≥97%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%(GC)

Nombres e identificadores

• Pubchem Sid: 504763002
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763002
• Sonrisas canónicas: CC(C)(C)OC(=O)CNCC(=O)OC(C)(C)C
• IUPAC Name: tert-butyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
• InChIKey: SMXMBXPLRFTROI-UHFFFAOYSA-N
• INCHI: 1S/C12H23NO4/c1-11(2,3)16-9(14)7-13-8-10(15)17-12(4,5)6/h13H,7-8H2,1-6H3
• Isómeros SMILES: CC(C)(C)OC(=O)CNCC(=O)OC(C)(C)C
• WGK Alemania: 3
• Peso molecular: 245.32
• Reaxy-Rn: 5431493
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5431493&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase 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
• Clase: 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: Dicarboxylic acids and derivatives Carboxylic acid esters Dialkylamines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid ester - Dicarboxylic acid or derivatives - Carboxylic acid ester - Secondary amine - 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol
• Punto de fusión (°C): 42 °C
• Peso molecular: 245.320 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 245.163 Da
• Monoisotopic Mass: 245.163 Da
• Topological Polar Surface Area: 64.599 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 245.000
• 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