N,N-Dimethyl-p-phenylenediamine sulfate salt - AR, ≥98% , CAS No.536-47-0

CAS: 536-47-0 Cat. No.: D105596 Molecular Weight: 234.27 Beilstein Registry Number: 4612278 EC Number: 208-636-2

GRADE & PURITY AR, ≥98%

Synonyms

N,N-DIMETHYL-P-PHENYLENEDIAMINE SULFATE [INCI] | FT-0640666 | N,N-Dimethyl-p-phenylenediaminesulfate | X997IVP3JA | 4-Amino-N,N-dimethylaniline sulphate | 1,2-Propanediol, 3-(phenylmethoxy)- | NSC72311 | W-105033 | 4-Fluoromandelicacid | N,N-Dimethyl-p-ph

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice,FedEx DG Service

Overview

N,N-Dimethyl-p-phenylenediamine sulfate salt was used to investigate the role of H2S in cardioprotection induced by ischemic preconditioning in rat heart in spectrophotometric determination of gold(III) in gold-pharmaceuticals such as sodium aurothimaleate and auranofin to investigate colonic tissue H2S production using the acetate trapping assay system.

Specifications

Synonyms

N, N-DIMETHYL-P-PHENYLENEDIAMINE SULFATE [INCI] | FT-0640666 | N, N-Dimethyl-p-phenylenediaminesulfate | X997IVP3JA | 4-Amino-N, N-dimethylaniline sulphate | 1, 2-Propanediol, 3-(phenylmethoxy)- | NSC72311 | W-105033 | 4-Fluoromandelicacid | N, N-Dimethyl-p-ph

Specifications & Purity

AR, ≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice, FedEx DG Service

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

Grade

AR

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504755457
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755457
• Canonical Smiles: CN(C)C1=CC=C(C=C1)N.OS(=O)(=O)O
• IUPAC Name: 4-N,4-N-dimethylbenzene-1,4-diamine;sulfuric acid
• InChIKey: GLUKPDKNLKRLHX-UHFFFAOYSA-N
• INCHI: 1S/C8H12N2.H2O4S/c1-10(2)8-5-3-7(9)4-6-8;1-5(2,3)4/h3-6H,9H2,1-2H3;(H2,1,2,3,4)
• Isomeric SMILES: CN(C)C1=CC=C(C=C1)N.OS(=O)(=O)O
• WGK Germany: 3
• UN Number: 2811
• Packing Group: III
• Molecular Weight: 234.27
• Beilstein: 4612278
• Reaxy-Rn: 4612278
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4612278&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Dialkylarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Dialkylarylamines
• Alternative Parents: Aniline and substituted anilines Organic sulfuric acids Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Dialkylarylamine - Sulfuric acid - Benzenoid - Monocyclic benzene moiety - Organic sulfuric acid or derivatives - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic 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 water (50 mg/ml).
• Sensitivity: heat,light and air sensitive
• Boil Point(°C): 495°C
• Melt Point(°C): 200-205°C
• Molecular Weight: 234.280 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 234.067 Da
• Monoisotopic Mass: 234.067 Da
• Topological Polar Surface Area: 112.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 175.000
• 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: 2

XLogP3

References

1. Abdullkhaleg Ali Albashari, Yan He, Yu Luo, Xingxiang Duan, Jihea Ali, Mingchang Li, Dehao Fu, Yangfan Xiang, Youjian Peng, Song Li, Lihua Luo, Xingjie Zan, Tushar Kumeria, Qingsong Ye.  (2023)  Local Spinal Cord Injury Treatment Using a Dental Pulp Stem Cell Encapsulated H2S Releasing Multifunctional Injectable Hydrogel.  Advanced Healthcare Materials,      [PMID:38056013] [10.1002/adhm.202302286]

2. Jun Tao, Hui Deng, Zhengnan Li, Liping Cao, Yanfei Rao, Zhanhai Yin.  (2025)  Macrophage-targeted, ROS-removing and H2S-releasing nanomicelle encapsulated in hydrogel microspheres for the treatment of osteoarthritis.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.160345]

3. Yu-Zhang Wang, Wei-Hai Chen, Zi-Yi Han, Shi-Man Zhang, Ping Ji, Cheng Zhang, Jun-Long Liang, Xian-Zheng Zhang.  (2025)  Targeted tumor therapy with L-cyst(e)ine-addicted bacteria-nanodrug biohybrids.  Cell Metabolism,      [PMID:40215982] [10.1016/j.cmet.2025.03.012]