cyclohexane-1,4-diamine

Product Information

Molecular Formula:
C6H14N2
Molecular Weight:
114.19
Description
Cyclohexane-1,4-diamine is an imperative constituent intrinsic to the arena of biomedicine and manifests its multifaceted attributes in the realm of drug development, particularly in combating a multitude of afflictions encompassing cancer and infections alike. Its instrumental role as a fundamental unit in pharmaceutical synthesis facilitates the genesis of potent therapeutic medications, thereby amplifying their efficacious potential to alleviate maladies.
Synonyms
1,4-cyclohexylenediamine; hexahydro-1,4-phenylenediamine; 1,4-DIAMINOCYCLOHEXANE; 1,4-CYCLOHEXANEDIAMINE; 1,4-DIAMINECYCLOHEXANE; cyclohexane-1,4-diamine
IUPAC Name
cyclohexane-1,4-diamine
Canonical SMILES
C1CC(CCC1N)N
InChI
InChI=1S/C6H14N2/c7-5-1-2-6(8)4-3-5/h5-6H,1-4,7-8H2
InChI Key
VKIRRGRTJUUZHS-UHFFFAOYSA-N
Boiling Point
199.4°C at 760mmHg
Purity
>97.0%(GC)(T)
Density
0.939g/cm3
Appearance
White or Colorless to Light yellow powder to lump to clear liquid

Safety Information

Hazards
H314:
Causes severe skin burns and eye damage.
Precautionary Statement
P260:
Do not breathe dust, fumes, gas, mist, vapours, spray.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P301+P330+P331:
IF SWALLOWED:
Rinse mouth.
Do NOT induce vomiting.
P303+P361+P353:
IF ON SKIN (or hair):
Take off immediately all contaminated clothing. [As modified by IV ATP].
Rinse skin with water/shower.
P304+P340+P310:
IF INHALED:
Remove person to fresh air and keep comfortable for breathing.
Immediately call a POISON CENTER or doctor/physician.
P305+P351+P338+P310:
IF IN EYES:
Rinse cautiously with water for several minutes.
Remove contact lenses if present and easy to do. Continue rinsing.
Immediately call a POISON CENTER or doctor/physician.

Computed Properties

XLogP3
-0.3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
114.115698455 g/mol
Monoisotopic Mass
114.115698455 g/mol
Topological Polar Surface Area
52Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
54.9
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-114181373-A Preparation process of comfortable spandex and prepared spandex 2022-01-29
CN-114028958-A Preparation method for improving desalination rate of reverse osmosis membrane 2021-12-17
CN-114058008-A Process for preparing semi-aromatic polyamides end-capped with monocarboxylic acids, semi-aromatic polyamides and molding compositions 2021-12-13
CN-114058009-A Process for preparing semi-aromatic polyamides with reduced loss of diamine monomer, semi-aromatic polyamides and molding compositions 2021-12-13
CN-114058010-A Process for preparing low-energy semiaromatic polyamides, semiaromatic polyamides and moulding compositions 2021-12-13
CN-114133559-A Process for preparing semiaromatic polyamides with reduced salt formation cycle, semiaromatic polyamides and moulding compositions 2021-12-13
CN-114015054-A Phthalic anhydride organic silicon dihydric alcohol, preparation method and thermoplastic phenyl silicon polyurethane adhesive 2021-12-09
CN-114015405-A High-performance polyurethane pressure-sensitive adhesive and preparation method and application thereof 2021-12-07
CN-114053876-A Preparation method of anti-pollution reverse osmosis membrane 2021-12-02
CN-114146566-A Preparation method of high-performance polyolefin substrate reverse osmosis membrane, reverse osmosis membrane and application 2021-12-02

Literatures

PMID Publication Date Title Journal
24973920 2014-07-01 Epigenetic targeting of Hedgehog pathway transcriptional output through BET bromodomain inhibition Nature medicine
22121674 2011-07-01 Preparation and characterization of nanoporous thin films from fully aliphatic polyimides Journal of nanoscience and nanotechnology
21333275 2011-04-01 Microwave-induced facile synthesis of water-soluble fluorogenic alginic acid derivatives Carbohydrate research
19782655 2010-02-15 Cytotoxicity, cellular uptake, glutathione and DNA interactions of an antitumor large-ring Pt II chelate complex incorporating the cis-1,4-diaminocyclohexane carrier ligand Biochemical pharmacology
20066228 2010-01-21 Catalytic performance of the high and low temperature polymorphs of (C6N2H16)0.5[(VO)(HAsO4)F]: structural, thermal, spectroscopic and magnetic studies Dalton transactions (Cambridge, England : 2003)
19500978 2009-08-01 Potent agonists of the Hedgehog signaling pathway Bioorganic & medicinal chemistry letters
19034934 2009-01-01 Self-assembly of two-component gels: stoichiometric control and component selection Chemistry (Weinheim an der Bergstrasse, Germany)
18644730 2008-08-15 Novel dimeric aryldiketo containing inhibitors of HIV-1 integrase: effects of the phenyl substituent and the linker orientation Bioorganic & medicinal chemistry
18299969 2008-06-01 Trans-cyclohexanediamines prevent thermal inactivation of protein: role of hydrophobic and electrostatic interactions The protein journal
18454143 2008-06-01 Gene expression signatures and small-molecule compounds link a protein kinase to Plasmodium falciparum motility Nature chemical biology
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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