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| CAS No.: | 6321-23-9 |
|---|---|
| Name: | 4-Methylcyclohexyl amine |
| Article Data: | 24 |
| Molecular Structure: | |
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| Formula: | C7H15N |
| Molecular Weight: | 113.203 |
| Synonyms: | Cyclohexylamine,4-methyl- (6CI,7CI,8CI);4-Methylcyclohexanamine;4-Methylcyclohexylamine;NSC32387;p-Methylcyclohexylamine; |
| EINECS: | 228-673-8 |
| Density: | 0.844 g/cm3 |
| Melting Point: | -8.5°C (estimate) |
| Boiling Point: | 149.3 °C at 760 mmHg |
| Flash Point: | 26.7 °C |
| Appearance: | clear colourless liquid |
| Hazard Symbols: |
 C, Xi
|
| Risk Codes: | 10-34 |
| Safety: | 16-26-27-36/37/39-45 |
| PSA: | 26.02000 |
| LogP: | 2.22410 |
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Specification
The 4-Methylcyclohexyl amine, with the CAS registry number 6321-23-9, is also known as Cyclohexanamine, 4-methyl-. It belongs to the product categories of Amines; C7; Nitrogen Compounds. Its EINECS registry number is 228-673-8. This chemical's molecular formula is C7H15N and molecular weight is 113.2. Its IUPAC name is called 4-methylcyclohexan-1-amine. The product which is clear colourless liquid should be sealed and stored in cool and dry place.
Physical properties of 4-Methylcyclohexyl amine: (1)ACD/LogP: 1.89; (2)ACD/LogD (pH 5.5): -1.21; (3)ACD/LogD (pH 7.4): -0.95; (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)Index of Refraction: 1.448; (12)Molar Refractivity: 35.93 cm3; (13)Molar Volume: 134 cm3; (14)Surface Tension: 28.4 dyne/cm; (15)Density: 0.844 g/cm3; (16)Flash Point: 26.7 °C; (17)Enthalpy of Vaporization: 38.62 kJ/mol; (18)Boiling Point: 149.3 °C at 760 mmHg; (19)Vapour Pressure: 4.05 mmHg at 25°C.
Preparation: this chemical can be prepared by N-allyl-N-(4-methylcyclohexyl)allylamine. This reaction will need reagent Pd(dba)2, DPPB, 2-mercaptobenzoic acid and solvent tetrahydrofuran. The reaction time is 30 min with reaction temperature of 60 °C. The yield is about 97%.
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Uses of 4-Methylcyclohexyl amine: it can be used to produce N-(4-methyl-cyclohexyl)-3-phenyl-acrylamide at ambient temperature. This reaction will need solvent benzene. The yield is about 73%.
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When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact and may cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1CCC(CC1)N
(2)InChI: InChI=1S/C7H15N/c1-6-2-4-7(8)5-3-6/h6-7H,2-5,8H2,1H3
(3)InChIKey: KSMVBYPXNKCPAJ-UHFFFAOYSA-N