4,4'-Methylenebis(2-methylcyclohexylamine) (mixture of isomers)（DMDC） - ≥99%(GC) , CAS No.6864-37-5

CAS: 6864-37-5 Cat. No.: M158377 Molecular Weight: 238.42 Beilstein Registry Number: 13(4)35 EC Number: 229-962-1

GRADE & PURITY ≥99%(GC)

Synonyms

4-(hydroxymethyl)-1,3-thiazole | Bis(4-amino-3-methylcyclohexyl)methane | ETHYLOXAZOLE-4-CARBOXYLATE | F0001-1790 | NCGC00248934-01 | 4,4'-Diamino-3,3'-dimethyldicyclohexylmethane | DTXCID209670 | 2-Tributylstannanyl-pyrimidine | Dimethyldicyane | 4,4'-Me

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

4,4′-Methylenebis(2-methylcyclohexylamine) (MMCA) may be used:

· in the synthesis of fully aliphatic polyimides

· in the synthesis of fully aliphatic polyimide-siloxanes (APISiO)

· to prepare epoxy resin with trimethylolpropane triglycidyl ether, used for the characterization of the structural organization in dragline silk by transmission X-ray microscopy (STXM).

Specifications

Synonyms

4-(hydroxymethyl)-1, 3-thiazole | Bis(4-amino-3-methylcyclohexyl)methane | ETHYLOXAZOLE-4-CARBOXYLATE | F0001-1790 | NCGC00248934-01 | 4, 4'-Diamino-3, 3'-dimethyldicyclohexylmethane | DTXCID209670 | 2-Tributylstannanyl-pyrimidine | Dimethyldicyane | 4, 4'-Me

Specifications & Purity

≥99%(GC)

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥99%(GC)

Names and Identifiers

• Pubchem Sid: 504756073
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756073
• Canonical Smiles: CC1CC(CCC1N)CC2CCC(C(C2)C)N
• IUPAC Name: 4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexan-1-amine
• InChIKey: IGSBHTZEJMPDSZ-UHFFFAOYSA-N
• INCHI: 1S/C15H30N2/c1-10-7-12(3-5-14(10)16)9-13-4-6-15(17)11(2)8-13/h10-15H,3-9,16-17H2,1-2H3
• Isomeric SMILES: CC1CC(CCC1N)CC2CCC(C(C2)C)N
• WGK Germany: 3
• Molecular Weight: 238.42
• Beilstein: 13(4)35
• Reaxy-Rn: 2357017
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2357017&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Cyclohexylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclohexylamines
• Alternative Parents: Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexylamine - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Primary aliphatic amine - Amine - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as cyclohexylamines. These are organic compounds containing a cyclohexylamine moiety, which consist of a cyclohexane ring attached to an amine 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: Air sensitive
• Refractive Index: 1.499
• Flash Point(°F): 343.4 °F
• Flash Point(°C): 173 °C
• Boil Point(°C): 93-100 °C
• Molecular Weight: 238.410 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 238.241 Da
• Monoisotopic Mass: 238.241 Da
• Topological Polar Surface Area: 52.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 217.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 6
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1