N,N-Dimethyl-m-phenylenediamine dihydrochloride - ≥99% , CAS No.3575-32-4

CAS: 3575-32-4 Cat. No.: D113423 Molecular Weight: 209.12 Beilstein Registry Number: 3694384 EC Number: 222-693-0 PubChem CID: 77124

GRADE & PURITY ≥99%

Synonyms

H10556 | 3-N,3-N-dimethylbenzene-1,3-diamine;dihydrochloride | N,N-dimethyl-l,3-phenylenediamine dihydrochloride | N1,N1-Dimethylbenzene-1,3-diaminedihydrochloride | N,N-dimethyl-benzene-1,3-diamine dihydrochloride | N,N-Dimethylbenzene-1,3-diamine dihydr

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

N,N-Dimethyl-1,3-phenylenediamine dihydrochloride (3-Amino-N,N-dimethylaniline dihydrochloride) was used in the preparation of a dimethylamino-aniline derivative.

Specifications

Synonyms

H10556 | 3-N, 3-N-dimethylbenzene-1, 3-diamine;dihydrochloride | N, N-dimethyl-l, 3-phenylenediamine dihydrochloride | N1, N1-Dimethylbenzene-1, 3-diaminedihydrochloride | N, N-dimethyl-benzene-1, 3-diamine dihydrochloride | N, N-Dimethylbenzene-1, 3-diamine dihydr

Specifications & Purity

≥99%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CN(C)C1=CC=CC(=C1)N.Cl.Cl
• IUPAC Name: 3-N,3-N-dimethylbenzene-1,3-diamine;dihydrochloride
• InChIKey: BZJPIQKDEGXVFG-UHFFFAOYSA-N
• INCHI: 1S/C8H12N2.2ClH/c1-10(2)8-5-3-4-7(9)6-8;;/h3-6H,9H2,1-2H3;2*1H
• Isomeric SMILES: CN(C)C1=CC=CC(=C1)N.Cl.Cl
• WGK Germany: 3
• PubChem CID: 77124
• UN Number: 2811
• Molecular Weight: 209.12
• Beilstein: 3694384

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

• Solubility: water: soluble 100mg/2ml, clear to slightly hazy (faintly yellow to tan to purple) Soluble in water, chloroform and dichloromethane. Slightly soluble in ethyl acetate.
• Sensitivity: Light & Moisture Sensitive
• Melt Point(°C): 217°C
• Molecular Weight: 209.110 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 208.053 Da
• Monoisotopic Mass: 208.053 Da
• Topological Polar Surface Area: 29.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 101.000
• 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: 3

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