17-Amino-10-oxo-3,6,12,15-tetraoxa-9-azaheptadecan-1-oic acid - ≥98% , CAS No.1143516-05-5

CAS: 1143516-05-5 Cat. No.: A586432 Molecular Weight: 308.33 EC Number: 815-071-0

GRADE & PURITY ≥98%

Synonyms

AC-32527 | 1143516-05-5 | HY-W125504 | Aeea-aeea | 2-[2-(2-{2-[2-(2-aminoethoxy)ethoxy]acetamido}ethoxy)ethoxy]acetic acid | AMY3342 | DTXSID301191445 | SY251169 | WS-03066 | 17-amino-10-oxo-3,6,12,15-tetraoxa-9-azaheptadecan-1-oicacid | ZB0899 | 17-Amino

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Application

227,228,229

Specifications

Synonyms

AC-32527 | 1143516-05-5 | HY-W125504 | Aeea-aeea | 2-[2-(2-{2-[2-(2-aminoethoxy)ethoxy]acetamido}ethoxy)ethoxy]acetic acid | AMY3342 | DTXSID301191445 | SY251169 | WS-03066 | 17-amino-10-oxo-3, 6, 12, 15-tetraoxa-9-azaheptadecan-1-oicacid | ZB0899 | 17-Amino

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Protected from light, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C(COCCOCC(=O)NCCOCCOCC(=O)O)N
• IUPAC Name: 2-[2-[2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetic acid
• InChIKey: YQZVQKYXWPIKIX-UHFFFAOYSA-N
• INCHI: 1S/C12H24N2O7/c13-1-3-18-5-7-20-9-11(15)14-2-4-19-6-8-21-10-12(16)17/h1-10,13H2,(H,14,15)(H,16,17)
• Isomeric SMILES: C(COCCOCC(=O)NCCOCCOCC(=O)O)N
• Alternate CAS: 1143516-05-5
• Molecular Weight: 308.33
• Reaxy-Rn: 20802384
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20802384&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid amides
          • Level6 Secondary carboxylic acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid amides
• Direct Parent: Secondary carboxylic acid amides
• Alternative Parents: Amino acids Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Amino acid or derivatives - Amino acid - Secondary carboxylic acid amide - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Amine - Organooxygen compound - Organonitrogen compound - Primary amine - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as secondary carboxylic acid amides. These are compounds containing a secondary carboxylic acid amide functional group, with the general structure RC(=O)N(R')H (R,R'=alkyl, aryl).
• 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

• Sensitivity: Moisture sensitive;Light sensitive
• Molecular Weight: 308.330 g/mol
• XLogP3: -4.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 15
• Exact Mass: 308.158 Da
• Monoisotopic Mass: 308.158 Da
• Topological Polar Surface Area: 129.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 276.000
• 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