Methylenediamine dihydrochloride - ≥98%(AT) , CAS No.57166-92-4

CAS: 57166-92-4 Cat. No.: M171041 Molecular Weight: 118.99 Beilstein Registry Number: 3664690 EC Number: 260-602-6 PubChem CID: 171572

GRADE & PURITY ≥98%(AT)

Synonyms

Methanediamine dihydrochloride

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Methylenediamine dihydrochloride can be used as a reactant to synthesize:
Poly(methylene biguanides) via polycondensation reaction with sodium dicyanamide in the presence of 1-butanol.
Didodecanoylamides by reacting with (2S)-2-methyldodecanoyl chloride via acylation in the presence of sodium bicarbonate.
It can also be used as a hydrogen source in catalytic hydrogenation reactions.

Specifications

Synonyms

Methanediamine dihydrochloride

Specifications & Purity

≥98%(AT)

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

≥98%(AT)

Names and Identifiers

• Pubchem Sid: 488188471
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188471
• Canonical Smiles: C(N)N.Cl.Cl
• IUPAC Name: methanediamine;dihydrochloride
• InChIKey: QCYJCJJCNRIMNG-UHFFFAOYSA-N
• INCHI: 1S/CH6N2.2ClH/c2-1-3;;/h1-3H2;2*1H
• Isomeric SMILES: C(N)N.Cl.Cl
• WGK Germany: 3
• PubChem CID: 171572
• Molecular Weight: 118.99
• Beilstein: 3664690

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Aminals

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Aminals
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminals
• Alternative Parents: Organopnictogen compounds Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Aminal - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Primary aliphatic amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as aminals. These are compounds having two amino groups bonded to the same carbon, R2C(NR2)2 where R can by a hydrogen or an alkyl 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

• Molecular Weight: 118.990 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 118.006 Da
• Monoisotopic Mass: 118.006 Da
• Topological Polar Surface Area: 52.000 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 2.800
• 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

XLogP3

References

1. Wenbao Xu, Tao Zhu, Manying Yang, Gang Li, Yuanyuan Zhao, Chongwen Li, Qunwei Tang.  (2025)  Tailored colloidal size and crystallization kinetics for high-efficiency carbon-based perovskite solar cells.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:41240564] [10.1016/j.jcis.2025.139404]