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CAS No.: | 7003-32-9 |
---|---|
Name: | 2-Methylcyclohexylamine |
Article Data: | 21 |
Molecular Structure: | |
Formula: | C7H15N |
Molecular Weight: | 113.203 |
Synonyms: | Cyclohexylamine,2-methyl- (6CI,7CI,8CI);2-Methylcyclohexanamine;2-Methylcyclohexylamine;NSC27455;o-Methylcyclohexylamine; |
EINECS: | 230-277-5 |
Density: | 0.844 g/cm3 |
Boiling Point: | 148.8 °C at 760 mmHg |
Flash Point: | 21.7 °C |
Solubility: | slightly soluble in water |
Appearance: | clear colorless to light yellow liquid |
Hazard Symbols: | F,C |
Risk Codes: | 10-34-37-35-20/21/22-11-22 |
Safety: | 16-26-36/37/39-45-28A |
Transport Information: | UN 2733 |
PSA: | 26.02000 |
LogP: | 2.22410 |
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The IUPAC name of 2-Methylcyclohexylamine is 2-methylcyclohexan-1-amine. With the CAS registry number 7003-32-9, it is also named as Cyclohexylamine, 2-methyl-. The product is air sensitive and slightly soluble in water. Besides, it is clear colorless to light yellow liquid, which should be stored away from flammables area. In addition, its molecular formula is C7H15N and molecular weight is 113.20.
The other characteristics of this product can be summarized as: (1)EINECS: 230-277-5; (2)ACD/LogP: 1.89; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -1.21; (5)ACD/LogD (pH 7.4): -1.01; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 1; (10)#H bond acceptors: 1; (11)#H bond donors: 2; (12)#Freely Rotating Bonds: 1; (13)Index of Refraction: 1.448; (14)Molar Refractivity: 35.93 cm3; (15)Molar Volume: 134 cm3; (16)Surface Tension: 28.4 dyne/cm; (17)Density: 0.844 g/cm3; (18)Flash Point: 21.7 °C; (19)Enthalpy of Vaporization: 38.57 kJ/mol; (20)Boiling Point: 148.8 °C at 760 mmHg; (21)Vapour Pressure: 4.15 mmHg at 25 °C.
Preparation of 2-Methylcyclohexylamine: this chemical can be prepared by 2-methyl-cyclohexanone oxime.
This reaction needs Na and ethanol by heating. The yield is 60 %.
Uses of 2-Methylcyclohexylamine: it can react with carbon disulfide to get 1,3-bis-(2-methyl-cyclohexyl)-thiourea.
This reaction needs KOH and ethanol by heating. The yield is 60 %.
When you are using this chemical, please be cautious about it as the following: it is highly flammable that may cause severe burns. Please keep away from sources of ignition. It is also harmful by inhalation, in contact with skin and if swallowed. And it is irritating to respiratory system. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Moreover, you should wear suitable protective clothing, gloves and eye/face protection. After contact with skin, wash immediately with plenty of soap-suds. Additionally, in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: CC1CCCCC1N
(2)InChI: InChI=1S/C7H15N/c1-6-4-2-3-5-7(6)8/h6-7H,2-5,8H2,1H3
(3)InChIKey: FEUISMYEFPANSS-UHFFFAOYSA-N