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CAS No.: | 6850-35-7 |
---|---|
Name: | 3-METHYLCYCLOHEXYLAMINE |
Article Data: | 21 |
Molecular Structure: | |
Formula: | C7H15N |
Molecular Weight: | 113.203 |
Synonyms: | 3-Methylcyclohexylamine, mixed isomers; |
EINECS: | 229-940-1 |
Density: | 0.844 g/cm3 |
Melting Point: | -8.5°C (estimate) |
Boiling Point: | 149 °C at 760 mmHg |
Flash Point: | 22.2 °C |
Hazard Symbols: | F,C |
Risk Codes: | 10-22-34 |
PSA: | 26.02000 |
LogP: | 2.22410 |
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The Cyclohexanamine,3-methyl-, with the CAS registry number 6850-35-7, is also known as 3-Methylcyclohexylamine, mixed isomers. Its EINECS registry number is 229-940-1. This chemical's molecular formula is C7H15N and molecular weight is 113.2. What's more, its IUPAC name is called 3-Methylcyclohexan-1-amine.
Physical properties about this chemical are: (1)ACD/LogP: 1.89; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.21; (4)ACD/LogD (pH 7.4): -0.96; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å2; (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: 22.2 °C; (19)Enthalpy of Vaporization: 38.6 kJ/mol; (20)Boiling Point: 149 °C at 760 mmHg; (21)Vapour Pressure: 4.1 mmHg at 25 °C.
Preparation of Cyclohexanamine,3-methyl-: this chemical can be prepared by 3-Methyl-cyclohexanone oxime.
This reaction needs reagent Na and solvent Ethanol. The yield is 62%.
Uses of Cyclohexanamine,3-methyl-: it is used to produce other chemicals. For example, it is used to produce N-(3-Methyl-cyclohexyl)-3-phenyl-acrylamide.
The reaction occurs with solvent Benzene. The yield is 65%.
You can still convert the following datas into molecular structure:
(1) SMILES: NC1CC(C)CCC1
(2) InChI: InChI=1/C7H15N/c1-6-3-2-4-7(8)5-6/h6-7H,2-5,8H2,1H3
(3) InChIKey: JYDYHSHPBDZRPU-UHFFFAOYAD