N,N-Dimethyl-p-phenylenediamine monohydrochloride - ≥95% , CAS No.2052-46-2

CAS: 2052-46-2 Cat. No.: I168425 Molecular Weight: 172.66 EC Number: 218-146-0

GRADE & PURITY ≥95%

Synonyms

AKOS015894780 | EINECS 237-455-1 | N,N-DIMETHYL-P-PHENYLENEDIAMINE HCl | 1,4-Benzenediamine, N,N-dimethyl-, hydrochloride | 4-Amino-N,N-dimethylaniline hydrochloride | 4-Dimethylamineaniline, HCl | 1, N,N-dimethyl-, monohydrochloride | NSC47696 | NSC-4769

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

AKOS015894780 | EINECS 237-455-1 | N, N-DIMETHYL-P-PHENYLENEDIAMINE HCl | 1, 4-Benzenediamine, N, N-dimethyl-, hydrochloride | 4-Amino-N, N-dimethylaniline hydrochloride | 4-Dimethylamineaniline, HCl | 1, N, N-dimethyl-, monohydrochloride | NSC47696 | NSC-4769

Specifications & Purity

≥95%

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

≥95%

Names and Identifiers

• Pubchem Sid: 488180547
• Canonical Smiles: CN(C)C1=CC=C(C=C1)N.Cl
• IUPAC Name: 4-N,4-N-dimethylbenzene-1,4-diamine;hydrochloride
• InChIKey: KTWNIUBGGFBRKH-UHFFFAOYSA-N
• INCHI: 1S/C8H12N2.ClH/c1-10(2)8-5-3-7(9)4-6-8;/h3-6H,9H2,1-2H3;1H
• Isomeric SMILES: CN(C)C1=CC=C(C=C1)N.Cl
• Molecular Weight: 172.66
• Reaxy-Rn: 4546912
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4546912&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 Primary amines Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Dialkylarylamine - Benzenoid - Monocyclic benzene moiety - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - 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

• Sensitivity: Moisture sensitive,light sensitive
• Molecular Weight: 172.650 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 172.077 Da
• Monoisotopic Mass: 172.077 Da
• Topological Polar Surface Area: 29.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 93.400
• 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. Zhongxiu Chen, Ling Li, Zhongshuai Zhao, Ying Zhu, Zhongde Liu.  (2023)  Responsive luminescent silver-based metal-organic frameworks for highly sensitive and selective detection of hydrogen sulfide in biological system via a self-assembled headspace separation device.  TALANTA,      [PMID:37690415] [10.1016/j.talanta.2023.125170]

2. Yanduo Yang, Chungeng Zhan, Yu Li, Jiajia Zeng, Keyue Lin, Jianliang Sun, Feng Jiang.  (2024)  In-situ reactivation and reuse of micronsized sulfidated zero-valent iron using SRB-enriched culture: A sustainable PRB technology.  WATER RESEARCH,      [PMID:38359598] [10.1016/j.watres.2024.121270]

3. Ying Zhu, Ran Li, Zhongshuai Zhao, Zhongde Liu.  (2025)  Headspace separation–combined fluorescence strategy for highly selective detection of hydrogen sulfide using silver nanocluster assemblies as a probe via a self-made device.  ANALYST,      [PMID:40261154] [10.1039/D5AN00220F]