[4-(azaniumylmethyl)cyclohexyl]methylazanium

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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
Canonical 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
240-245ºC
Flash Point
106 ℃
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.
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].

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

Publication Number Title Priority Date
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
JP-2022009148-A Laminated tube 2021-10-14
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
CN-113502114-A Two-component ultra-fast-drying weather-resistant hydrophobic and oleophobic polyurea finish paint 2021-07-07

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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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