2-Toluidine-d7 - ≥98%(CP),≥98 atom% D , CAS No.68408-22-0

CAS: 68408-22-0 Cat. No.: T331363 Molecular Weight: 114.20

GRADE & PURITY ≥98%(CP),≥98 atom% D

Synonyms

o-Toluidine-d7 | 2-Methylaniline-d7 | o-Methylaniline-d7 | 1-Amino-2-methylbenzene-d7 | 2-Amino-1-methylbenzene-d7 | 2-Aminotoluene-d7 | 2-Methyl-1-aminobenzene-d7 | 2-Methylaniline-d7 | 2-Methylbenzenamine-d7 | 2-Methylphenylamine-d7 | 2-Tolylamine-d7 |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

o-Toluidine-d7 is a deuterated labeled o-Toluidine (HY-41497). o-Toluidine is widely used to measure glucose levels in blood and body fluids. Glucose and primary aromatic amines can condense in glacial acetic acid to form an equilibrium mixture of sugar amines and corresponding Schiff bases. For example, use glacial acetic acid to prepare 6% o-Toluidine, add it to the solution containing the test, and add trichloroacetic acid to remove protein. After heating at 100°C for 10 minutes and rapidly cooling to room temperature, the absorbance at 630 nm can be measured to calculate the glucose level.

Specifications

Synonyms

o-Toluidine-d7 | 2-Methylaniline-d7 | o-Methylaniline-d7 | 1-Amino-2-methylbenzene-d7 | 2-Amino-1-methylbenzene-d7 | 2-Aminotoluene-d7 | 2-Methyl-1-aminobenzene-d7 | 2-Methylaniline-d7 | 2-Methylbenzenamine-d7 | 2-Methylphenylamine-d7 | 2-Tolylamine-d7 |

Specifications & Purity

≥98%(CP), ≥98 atom% D

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥98%(CP), ≥98 atom% D

Names and Identifiers

• Canonical Smiles: CC1=CC=CC=C1N
• IUPAC Name: N,N,2,3,4,5-hexadeuterio-6-(trideuteriomethyl)aniline
• InChIKey: RNVCVTLRINQCPJ-LLZDZVHOSA-N
• INCHI: 1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3/i1D3,2D,3D,4D,5D/hD2
• Isomeric SMILES: [2H]C1=C(C(=C(C(=C1[2H])C([2H])([2H])[2H])N([2H])[2H])[2H])[2H]
• Alternate CAS: 95-53-4（unlabelled）
• Molecular Weight: 114.20

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Toluenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Toluenes
• Alternative Parents: Primary amines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Toluene - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane group.
• 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 Chloroform
• Molecular Weight: 116.210 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 116.13 Da
• Monoisotopic Mass: 116.13 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 70.800
• Isotope Atom Count: 9
• 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