cis-1,4-Cyclohexanediamine Dihydrochloride
Product Information
Molecular Formula
C6H14N2·2HCl
Molecular Weight
187.11
Description
cis-1,4-Cyclohexanediamine Dihydrochloride is a powerful compound used in biomedicine. It acts as an intermediate for the synthesis of various drugs targeting diseases such as cancer and neurological disorders. Its unique structure makes it an essential component for drug development and research in the pharmaceutical industry.
Synonyms
cis-1,4-Diaminocyclohexane Dihydrochloride
IUPAC Name
cyclohexane-1,4-diaminedihydrochloride
SMILES
C1CC(CCC1N)N.Cl.Cl
InChI
InChI=1S/C6H14N2.2ClH/c7-5-1-2-6(8)4-3-5/h5-6H,1-4,7-8H22*1H
InChI Key
LSWJXVMHLYPGPM-UHFFFAOYSA-N
Purity
>98.0%(T)
Appearance
White to Almost white powder to crystal
Safety Information
Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].
Computed Properties
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
186.0690539 g/mol
Monoisotopic Mass
186.0690539 g/mol
Topological Polar Surface Area
52Ų
Heavy Atom Count
10
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
3
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| EP-2536283-A1 | Phenyl-heteroaryl derivatives and methods of use thereof | 2010-02-18 |
| EP-2536283-B1 | Phenyl-heteroaryl derivatives and methods of use thereof | 2010-02-18 |
| US-2013197007-A1 | Phenyl-Heteroaryl Derivatives and Methods of Use Thereof | 2010-02-18 |
| US-2014206660-A1 | Phenyl-Heteroaryl Derivatives and Methods of Use Thereof | 2010-02-18 |
| US-8431575-B2 | Phenyl-heteroaryl derivatives and methods of use thereof | 2010-02-18 |
| US-8741900-B2 | Phenyl-heteroaryl derivatives and methods of use thereof | 2010-02-18 |
| US-9045461-B2 | Phenyl-heteroaryl derivatives and methods of use thereof | 2010-02-18 |
| EP-0945496-A1 | Ink compositions and multicolor thermal ink jet printing process for the production of high quality images | 1998-03-24 |
| EP-0945496-B1 | Ink compositions and multicolor thermal ink jet printing process for the production of high quality images | 1998-03-24 |
| US-5958121-A | Ink compositions and multicolor thermal ink jet printing process for the production of high quality images | 1998-03-24 |
