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CAS No.: | 2163-33-9 |
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Name: | 4-TERT-BUTYLCYCLOHEXYLAMINE, CIS |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C10H21N |
Molecular Weight: | 155.283 |
Synonyms: | Cyclohexylamine,4-tert-butyl-, cis- (8CI);Cis-4-t-Butylcyclohexanamine;cis-1-Amino-4-tert-butylcyclohexane;cis-4-tert-Butyl-1-cyclohexanamine;cis-4-tert-Butylcyclohexanamine; |
Density: | 0.861 g/cm3 |
Boiling Point: | 197.953 °C at 760 mmHg |
Flash Point: | 51.316 °C |
PSA: | 26.02000 |
LogP: | 3.25030 |
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The Cyclohexanamine,4-(1,1-dimethylethyl)-, cis- with CAS registry number of 2163-33-9 is also known as cis-1-Amino-4-tert-butylcyclohexane. The systematic name is cis-4-tert-Butylcyclohexanamine. In addition, the formula is C10H21N and the molecular weight is 155.28.
Physical properties about Cyclohexanamine,4-(1,1-dimethylethyl)-, cis- are: (1)ACD/LogP: 3.31; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 2; (6)#H bond acceptors: 1; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 26.02Å2; (10)Index of Refraction: 1.46; (11)Molar Refractivity: 49.418 cm3; (12)Molar Volume: 180.271 cm3; (13)Polarizability: 19.591×10-24cm3; (14)Surface Tension: 30.289 dyne/cm; (15)Density: 0.861 g/cm3; (16)Flash Point: 51.316 °C; (17)Enthalpy of Vaporization: 43.415 kJ/mol; (18)Boiling Point: 197.953 °C at 760 mmHg; (19)Vapour Pressure: 0.369 mmHg at 25 °C.
Preparation of Cyclohexanamine,4-(1,1-dimethylethyl)-, cis-: it is prepared by reduction of 4-tert-butyl-cyclohexanone oxime. The reaction needs reagent Na and solvent ethanol with other condition of heating. The yield is about 68%.
Uses of Cyclohexanamine,4-(1,1-dimethylethyl)-, cis-: it is used to produce 4-bromo-N-(4-tert-butyl-cyclohexyl)-benzamide by acylation reaction with 4-bromo-benzoyl chloride. The reaction occurs with reagent Et3N and solvent benzene at the temperature of 20 °C. The yield is about 56%.
You can still convert the following datas into molecular structure:
1. SMILES: CC(C)(C)[C@@H]1CC[C@H](N)CC1
2. InChI: InChI=1/C10H21N/c1-10(2,3)8-4-6-9(11)7-5-8/h8-9H,4-7,11H2,1-3H3/t8-,9+
3. InChIKey: BGNLXETYTAAURD-DTORHVGOBF
4. Std. InChI: InChI=1S/C10H21N/c1-10(2,3)8-4-6-9(11)7-5-8/h8-9H,4-7,11H2,1-3H3/t8-,9+
5. Std. InChIKey: BGNLXETYTAAURD-DTORHVGOSA-N