- trans-4-Methylcyclohexyl amine
- trans-4-Methylcyclohexylamine hydrochloride
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Cas Database |
| Name |
trans-4-Methylcyclohexyl amine |
EINECS | 228-673-8 |
| CAS No. | 2523-55-9 | Density | 0.845 g/cm3 |
| PSA | 26.02000 | LogP | 2.22410 |
| Solubility | N/A | Melting Point |
-8.5°C (estimate) |
| Formula | C7H15N | Boiling Point | 149.324 °C at 760 mmHg |
| Molecular Weight | 113.203 | Flash Point | 26.667 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 16-28 | Risk Codes | 10-35 |
| Molecular Structure |
|
Hazard Symbols |
 C
|
| Synonyms |
Cyclohexylamine,4-methyl-, trans- (8CI);4-trans-Methylcyclohexylamine;trans-1-Amino-4-methylcyclohexane;trans-4-Methyl-1-cyclohexanamine; |
Article Data | 26 |
trans-4-Methylcyclohexyl amine Synthetic route
- 106-49-0
p-toluidine
A
- 2523-55-9
trans-4-methylcyclohexanamine
B
- 2523-56-0
cis-4-methylcyclohexanamine
C
- 84518-71-8, 109667-09-6
4,4'-dimethyldicyclohexylamine
| Conditions | Yield |
|---|---|
| With hydrogen In tetrahydrofuran at 110℃; under 75007.5 Torr; for 3h; Kinetics; Reagent/catalyst; Temperature; Autoclave; | A 63.6% B 30.2% C n/a |
- 589-91-3
p-methylcyclohexanol
A
- 2523-55-9
trans-4-methylcyclohexanamine
B
- 84518-71-8, 109667-09-6
4,4'-dimethyldicyclohexylamine
| Conditions | Yield |
|---|---|
| With ammonia; thorium dioxide at 290 - 320℃; |
- 4994-13-2, 128925-57-5, 128925-58-6
4-methylcyclohexanone oxime
- 2523-55-9
trans-4-methylcyclohexanamine
| Conditions | Yield |
|---|---|
| With hydrogen; nickel at 280℃; | |
| With lithium aluminium tetrahydride | |
| With sodium In ethanol | |
| With ethanol; sodium Heating; | |
| With ethanol; sodium |
| Conditions | Yield |
|---|---|
| With lithium | |
| With hydrogen; silica gel; rhodium In 2,2,4-trimethylpentane at 49.85℃; Activation energy; Further Variations:; Catalysts; |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; hydrogen; acetic acid; platinum at 25℃; under 2280 Torr; | |
| With hydrogen; silica gel; rhodium In 2,2,4-trimethylpentane at 49.85℃; Product distribution; Further Variations:; Catalysts; | |
| With hydrogen In 1,4-dioxane at 100℃; under 15001.5 Torr; for 3.33333h; Autoclave; | A n/a B n/a |
- 77287-34-4, 77287-35-5, 60100-09-6
formamide
- 589-92-4
1-methylcyclohexan-4-one
A
- 2523-55-9
trans-4-methylcyclohexanamine
B
- 2523-56-0
cis-4-methylcyclohexanamine
| Conditions | Yield |
|---|---|
| With formic acid anschliessendes Erhitzen mit wss.HCl; |
| Conditions | Yield |
|---|---|
| With ethanol; platinum at 70 - 80℃; under 2280 Torr; Hydrogenation.anschliessend man verseift durch Erhitzen mit konz. Salzsaere auf 130-140grad; |
- 589-92-4
1-methylcyclohexan-4-one
A
- 2523-55-9
trans-4-methylcyclohexanamine
B
- 2523-56-0
cis-4-methylcyclohexanamine
| Conditions | Yield |
|---|---|
| Yield given. Multistep reaction. Yields of byproduct given; | |
| With decane; (S)-1-phenyl-ethylamine; Chromobacterium violaceum amine transaminase A W60 C In tert-butyl methyl ether at 37℃; pH=8.2; Enzymatic reaction; stereoselective reaction; | A n/a B n/a |
| With decane; (S)-1-phenyl-ethylamine; Vibrio fluvialis amine transaminase A In tert-butyl methyl ether at 37℃; pH=8.2; Catalytic behavior; Reagent/catalyst; Solvent; Enzymatic reaction; stereoselective reaction; | A n/a B n/a |
- 2523-55-9
trans-4-methylcyclohexanamine
| Conditions | Yield |
|---|---|
| With ethanol; sodium |
trans-4-Methylcyclohexyl amine Specification
The CAS register number of Cyclohexanamine,4-methyl-, trans- is 2523-55-9. It also can be called as 4-trans-Methylcyclohexylamine and the systematic name about this chemical is trans-4-methylcyclohexanamine. The molecular formula about this chemical is C7H15N and the molecular weight is 113.20.
Physical properties about Cyclohexanamine,4-methyl-, trans- are: (1)ACD/LogP: 2.04; (2)ACD/LogD (pH 5.5): -1; (3)ACD/LogD (pH 7.4): -1; (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: 1; (11)Polar Surface Area: 26.02Å2; (12)Index of Refraction: 1.449; (13)Molar Refractivity: 35.931 cm3; (14)Molar Volume: 134.017 cm3; (15)Polarizability: 14.244x10-24cm3; (16)Surface Tension: 28.424 dyne/cm; (17)Enthalpy of Vaporization: 38.624 kJ/mol; (18)Boiling Point: 149.324 °C at 760 mmHg; (19)Vapour Pressure: 4.049 mmHg at 25°C.
Preparation: this chemical can be prepared by N-allyl-N-(4-methylcyclohexyl)allylamine. This reaction will need reagent 2-mercaptobenzoic acid, Pd(dba)2, DPPB and solvent tetrahydrofuran. The reaction time is 30 min with reaction temperature of 60 °C. The yield is about 97%.
Uses of Cyclohexanamine,4-methyl-, trans-: it can be used to produce N-(4-methyl-cyclohexyl)-3-phenyl-acrylamide with 3-phenyl-acryloyl chloride at ambient temperature. This reaction will need solvent benzene. The yield is about 73%.
When you are using this chemical, please be cautious about it as the following:
This chemical is flammable and it is irritating to eyes. When you are using it, please keep away from sources of ignition. After contact with skin, wash immediately with plenty of soap-suds.
You can still convert the following datas into molecular structure:
(1)SMILES: C[C@H]1CC[C@H](N)CC1
(2)InChI: InChI=1/C7H15N/c1-6-2-4-7(8)5-3-6/h6-7H,2-5,8H2,1H3/t6-,7-
(3)InChIKey: KSMVBYPXNKCPAJ-LJGSYFOKBM
(4)Std. InChI: InChI=1S/C7H15N/c1-6-2-4-7(8)5-3-6/h6-7H,2-5,8H2,1H3/t6-,7-
(5)Std. InChIKey: KSMVBYPXNKCPAJ-LJGSYFOKSA-N
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