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Cas Database |
| Name |
Cyclohexanemethylamine |
EINECS | 221-741-8 |
| CAS No. | 3218-02-8 | Density | 0.863 g/cm3 |
| PSA | 26.02000 | LogP | 2.22570 |
| Solubility | Slightly soluble in water. | Melting Point |
-8 °C |
| Formula | C7H15N | Boiling Point | 146 °C at 760 mmHg |
| Molecular Weight | 113.203 | Flash Point | 43.3 °C |
| Transport Information | UN 2734 8/PG 2 | Appearance | Clear colorless to slightly yellow liquid |
| Safety | 16-26-36/37/39-45 | Risk Codes | 10-34 |
| Molecular Structure |
|
Hazard Symbols |
 C
|
| Synonyms |
(Aminomethyl)cyclohexane;Hexahydrobenzylamine; |
Article Data | 103 |
Cyclohexanemethylamine Synthetic route
| Conditions | Yield |
|---|---|
| With [Ru(H)(BH4)(CO)(PPh3)(3-(di-tert-butylphosphino)-N-((1-methyl-1H-imidazol-2 yl)methyl)propylamine)]; hydrogen In isopropyl alcohol at 70℃; for 3h; Inert atmosphere; Autoclave; | 99% |
| With ammonia; hydrogen In toluene at 120℃; under 22502.3 Torr; for 16h; Autoclave; | 92% |
| With hydrogen In ethanol at 88℃; under 37503.8 Torr; for 0.5h; | 91% |
- 86328-85-0
N-(cyclohexylmethyl)-4-methylbenzenesulfonamide
- 3218-02-8
cyclohexylmethylamine
| Conditions | Yield |
|---|---|
| Stage #1: N-(cyclohexylmethyl)-4-methylbenzenesulfonamide With n-butyllithium In tetrahydrofuran at 0℃; Stage #2: With naphthalene; lithium In tetrahydrofuran at -78 - 20℃; | 94% |
| Stage #1: N-(cyclohexylmethyl)-4-methylbenzenesulfonamide With n-butyllithium In tetrahydrofuran at 0℃; for 0.166667h; Inert atmosphere; Stage #2: With naphthalene; lithium In tetrahydrofuran at -78 - 25℃; Stage #3: With water In tetrahydrofuran | 94% |
| Conditions | Yield |
|---|---|
| With ammonium hydroxide; hydrogen In ethanol at 130℃; under 7500.75 Torr; for 18h; Autoclave; | 92.8% |
| With ammonium formate In toluene at 80℃; for 3h; Inert atmosphere; chemoselective reaction; | 90% |
| With ammonium formate In toluene at 80℃; for 3h; Inert atmosphere; chemoselective reaction; | 90% |
| Conditions | Yield |
|---|---|
| With hydrogen at 160℃; under 75007.5 Torr; | A 91% B 8% |
| With dodecacarbonyl-triangulo-triruthenium; hydrogen; molybdenum hexacarbonyl In 1,2-dimethoxyethane at 160℃; under 75007.5 Torr; for 16h; Inert atmosphere; | |
| With hydrogen In 1,2-dimethoxyethane at 160℃; under 75007.5 Torr; for 16h; | |
| With 5 wt% ruthenium/carbon; water; hydrogen at 59.84℃; under 60006 Torr; for 4h; Reagent/catalyst; Autoclave; Sealed tube; |
| Conditions | Yield |
|---|---|
| at 160℃; under 75007.5 Torr; | A 7% B 89% |
| With ammonia; hydrogen at 200℃; under 42004.2 Torr; for 6h; Catalytic behavior; | A 18 %Chromat. B 80 %Chromat. |
- 766-05-2
cyclohexane carbonitrile
A
- 3309-27-1
N,N-dicyclohexylmethylamine
B
- 3218-02-8
cyclohexylmethylamine
| Conditions | Yield |
|---|---|
| With 10% rhodium on carbon; hydrogen In cyclohexane at 25℃; under 760.051 Torr; for 24h; | A 89% B n/a |
- 81917-06-8
(azidomethyl)cyclohexane
- 3218-02-8
cyclohexylmethylamine
| Conditions | Yield |
|---|---|
| With ammonium formate; zinc In methanol at 20℃; for 0.166667h; | 88% |
| With hydrogen; 25% palladium on carbon In methanol under 2585.81 Torr; for 2h; |
- 108-91-8
cyclohexylamine
- 100-47-0
benzonitrile
A
- 2211-66-7
N-phenyl(methylidene)cyclohexanamine
B
- 3218-02-8
cyclohexylmethylamine
| Conditions | Yield |
|---|---|
| With ammonium hydroxide; hydrogen In hexane at 100℃; under 3750.38 Torr; for 36h; Autoclave; Green chemistry; | A 78.2% B 10.6% |
- 65-85-0
benzoic acid
A
- 110-82-7
cyclohexane
B
- 3218-00-6
N-(cyclohexylmethyl)cyclohexanecarboxamide
C
- 3309-27-1
N,N-dicyclohexylmethylamine
D
- 1122-56-1
cyclohexylcarboxamide
E
- 3218-02-8
cyclohexylmethylamine
| Conditions | Yield |
|---|---|
| Stage #1: benzoic acid With cyclopentyl methyl ether; ammonia at 200℃; under 4500.45 Torr; Sealed tube; Green chemistry; Stage #2: With cyclopentyl methyl ether; ammonia; hydrogen at 200℃; under 42004.2 Torr; for 6.5h; Cooling with ice; Green chemistry; | A 5% B 2% C 7% D 4% E 78% |
- 1122-56-1
cyclohexylcarboxamide
A
- 3309-27-1
N,N-dicyclohexylmethylamine
B
- 3218-02-8
cyclohexylmethylamine
C
- 100-49-2
cyclohexylmethyl alcohol
| Conditions | Yield |
|---|---|
| With hydrogen at 150℃; under 75007.5 Torr; | A 9% B 77% C 13% |
| With tris(2,4-pentanedionato)ruthenium(III); hydrogen; molybdenum hexacarbonyl In 1,2-dimethoxyethane at 160℃; under 75007.5 Torr; for 16h; Inert atmosphere; | |
| With hydrogen; lithium hydroxide In 1,2-dimethoxyethane at 160℃; under 75007.5 Torr; for 16h; |
Cyclohexanemethylamine Specification
The CAS register number of Cyclohexanemethanamine is 3218-02-8. It also can be called as Hexahydrobenzylamine and the IUPAC name about this chemical is cyclohexylmethanamine. The molecular formula about this chemical is C7H15N and the molecular weight is 113.20. It belongs to the following product categories which include Amines and Anilines; API intermediates and so on.
Physical properties about Cyclohexanemethanamine are: (1)ACD/LogP: 1.93; (2)ACD/LogD (pH 5.5): -1.17; (3)ACD/LogD (pH 7.4): -0.83; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 3.24Å2; (12)Index of Refraction: 1.459; (13)Molar Refractivity: 35.89 cm3; (14)Molar Volume: 131.1 cm3; (15)Polarizability: 14.23x10-24cm3; (16)Surface Tension: 32.6 dyne/cm; (17)Flash Point: 43.3 °C; (18)Enthalpy of Vaporization: 38.3 kJ/mol; (19)Boiling Point: 146 °C at 760 mmHg; (20)Vapour Pressure: 4.73 mmHg at 25°C.
Uses of Cyclohexanemethanamine: it can be used to produce N-cyclohexylmethyl-benzamide with 3-benzoyl-oxazolidin-2-one of 25 ℃. This reaction will need catalyst Cp2TiCl2 and solvent tetrahydrofuran with reaction time of 18 hours. The yield is about 86%.
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When you are using this chemical, please be cautious about it as the following:
This chemical is flammable. It can also cause burns. If you want to use this chemical, please keep away from sources of ignition. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, please seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
(1)SMILES: NCC1CCCCC1
(2)InChI: InChI=1/C7H15N/c8-6-7-4-2-1-3-5-7/h7H,1-6,8H2
(3)InChIKey: AVKNGPAMCBSNSO-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C7H15N/c8-6-7-4-2-1-3-5-7/h7H,1-6,8H2
(5)Std. InChIKey: AVKNGPAMCBSNSO-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 56mg/kg (56mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#10002, |
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