[(1R,3S)-3-azaniumylcyclohexyl]azanium
Product Information
Molecular Formula
C6H14N2
Molecular Weight
114.19
Description
[(1R,3S)-3-azaniumylcyclohexyl]azanium is a complex biochemical complex. The compound is an integral forerunner in the synthesis of drugs that could enhance research applications against neurodegenerative diseases, including Alzheimer's disease.
Synonyms
1,3-Cyclohexanediamine; 1,3-Cyclohexanediamine cis/trans mixture; 1,3-Diaminocyclohexane
IUPAC Name
cyclohexane-1,3-diamine
SMILES
C1CC(CC(C1)N)N
InChI
InChI=1S/C6H14N2/c7-5-2-1-3-6(8)4-5/h5-6H,1-4,7-8H2
InChI Key
GEQHKFFSPGPGLN-UHFFFAOYSA-N
Boiling Point
191.1°C at 760mmHg
Flash Point
79 °C
Purity
95%
Density
0.95
Appearance
Colorless to Light yellow to Light orange clear liquid
Safety Information
Hazards
H302:
Harmful if swallowed.
H314:
Causes severe skin burns and eye damage.
Harmful if swallowed.
H314:
Causes severe skin burns and eye damage.
Precautionary Statement
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.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.
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.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.
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
64.9
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
2
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-114028958-A | Preparation method for improving desalination rate of reverse osmosis membrane | 2021-12-17 |
| 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 |
| CN-114146567-A | Preparation process of epoxy modified reverse osmosis membrane, reverse osmosis membrane and application of reverse osmosis membrane | 2021-12-02 |
| CN-114085159-A | Method for preparing 3-aminocyclohexanone by reductive amination of 1, 3-cyclohexanedione | 2021-11-25 |
| CN-114014845-A | Epoxy group-containing compound, liquid crystal aligning agent, and preparation method and application thereof | 2021-11-18 |
| CN-113893691-A | Method for preparing nanofiltration membrane by interfacial polymerization modified poly (amino) sulfate | 2021-11-09 |
| CN-113912847-A | Polymer, liquid crystal aligning agent, liquid crystal alignment film and application of liquid crystal alignment film | 2021-10-19 |
| JP-2022009148-A | Laminated tube | 2021-10-14 |
| CN-113881225-A | Imide film and synthetic method thereof | 2021-09-26 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 17532215 | 2007-08-01 | Discovery of cyclopentane- and cyclohexane-trans-1,3-diamines as potent melanin-concentrating hormone receptor 1 antagonists | Bioorganic & medicinal chemistry letters |
| 15285672 | 2004-08-09 | Coordination networks through the dimensions: from discrete clusters to 1D, 2D, and 3D silver(I) coordination polymers with rigid aliphatic amino ligands | Inorganic chemistry |
