[4-(azaniumylmethyl)cyclohexyl]methylazanium
Product Information
Molecular Formula
C8H18N2
Molecular Weight
142.24
Description
[4-(azaniumylmethyl)cyclohexyl]methylazanium is a complex organic compound. Utilizing its unique chemical skeleton, it facilitates drug development in regulating the regularity of cardiac oscillations and combating hypertension.
Synonyms
1,4-bis-(Aminomethyl)cyclohexane; 1,4-bis-(Aminomethyl)cyclohexane (cis+trans); 1,4-Cyclohexane-bis-(methylamine)
IUPAC Name
[4-(aminomethyl)cyclohexyl]methanamine
SMILES
C1CC(CCC1CN)CN
InChI
InChI=1S/C8H18N2/c9-5-7-1-2-8(6-10)4-3-7/h7-8H,1-6,9-10H2
InChI Key
OXIKYYJDTWKERT-UHFFFAOYSA-N
Boiling Point
240-245°C
Flash Point
106 °C
Purity
technical
Density
0.94
Appearance
clear colorless to slightly yellow liquid
Safety Information
Hazards
H302:
Harmful if swallowed.
H311:
Toxic in contact with skin.
H314:
Causes severe skin burns and eye damage.
Harmful if swallowed.
H311:
Toxic in contact with skin.
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.
P361+P364:
Take off immediately all contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].
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.
P361+P364:
Take off immediately all contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].
Computed Properties
XLogP3
0.1
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
142.146998583 g/mol
Monoisotopic Mass
142.146998583 g/mol
Topological Polar Surface Area
52Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
73.3
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
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|---|---|---|
| CN-114085492-A | Resin composition, prepreg and laminated board thereof | 2021-12-07 |
| CN-114106104-A | Cyclosporine A derivative and preparation method and application thereof | 2021-11-25 |
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| CN-113698288-A | Novel method for continuously preparing powdery nylon salt and matched device | 2021-08-27 |
| CN-113801551-A | Two-component coating composition and articles made therefrom | 2021-08-26 |
| CN-113644204-A | Perovskite solar cell based on amino compound interface modification layer and preparation method thereof | 2021-08-11 |
| CN-113583443-A | Transparent polyimide applied to flexible photoelectric field and preparation method thereof | 2021-08-04 |
| CN-113461543-A | Rectification purification method of 1, 3-cyclohexyldimethylamine crude product | 2021-07-27 |
| CN-113549392-A | Polyurethane dispersion, method for the production thereof and use thereof | 2021-07-23 |
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Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 21579303 | 2010-05-15 | Poly[1,4-bis-(ammonio-meth-yl)cyclo-hexane [di-μ-bromido-dibromido-plumbate(II)]] | Acta crystallographica. Section E, Structure reports online |
| 21579304 | 2010-05-15 | Poly[1,4-bis-(ammonio-meth-yl)cyclo-hexane [di-μ-chlorido-dichloridoplumbate(II)]] | Acta crystallographica. Section E, Structure reports online |
| 21579305 | 2010-05-15 | Poly[1,4-bis-(ammonio-meth-yl)cyclo-hexane [di-μ-iodido-diiodido-plumbate(II)]] | Acta crystallographica. Section E, Structure reports online |
