cis-1,3-Cyclohexanediamine
Product Information
Molecular Formula
C6H14N2
Molecular Weight
114.19
Description
cis-1,3-Cyclohexanediamine is an essential compound widely employed in the biomedical sector and assumes a pivotal function in the development of specifically targeted therapeutic agents to combat a myriad of ailments. Displaying exceptional efficacy owing to its distinct chemical attributes and intricate arrangement, this compound exhibits promising prospects in addressing diverse conditions including malignancy, neurological dysfunctions, and immune system disorders. Furthermore, its versatile utility encompasses pharmaceutical synthesis and investigative research, thereby conveying its indispensible status within the realm of biomedicine.
Synonyms
cis-1,3-Diaminocyclohexane
IUPAC Name
(1R,3S)-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/t5-,6+
InChI Key
GEQHKFFSPGPGLN-OLQVQODUSA-N
Boiling Point
198 °C
Flash Point
79 °C
Purity
>98.0%(GC)(T)
Appearance
Colorless to Almost colorless 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
2
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-111269217-A | Pyrimidinamine compound, preparation method and application thereof | 2020-04-07 |
| CN-111269217-B | Pyrimidinamine compound, preparation method and application thereof | 2020-04-07 |
| JP-2021033139-A | Infrared transmissive film, quantum dot solar cell and infrared sensor using it | 2019-08-27 |
| CN-113939521-A | Imidazoline derivatives as CXCR4 modulators | 2019-03-29 |
| KR-20210146318-A | Imidazoline derivatives as CXCR4 modulators | 2019-03-29 |
| JP-2020125466-A | Polyimide alloy, polyimide alloy precursor resin composition, polyimide alloy precursor resin solution, and method for producing polyimide alloy | 2019-01-31 |
| CN-109160888-B | Amidino-containing symmetrical compound and application thereof | 2018-10-09 |
| WO-2020023813-A1 | Pyrrolo[2,3-b]pyridin derivatives as inhibitors of influenza virus replication | 2018-07-27 |
| TW-202019927-A | Inhibitor of influenza virus replication | 2018-07-27 |
| AU-2019311117-A1 | Pyrrolo(2,3-b)pyridin derivatives as inhibitors of influenza virus replication | 2018-07-27 |
