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
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.
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.
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 |
