| Identification | |
| Name: | 1-Piperidinecarboxylicacid, 4-(cyanomethyl)-, 1,1-dimethylethyl ester |
| Synonyms: | 4-(Cyanomethyl)piperidine-1-carboxylicacid tert-butyl ester; N-Boc-piperidine-4-acetonitrile |
| CAS: | 256411-39-9 |
| Molecular Formula: | C12H20 N2 O2 |
| Molecular Weight: | 0 |
| InChI: | InChI=1/C12H20N2O2/c1-12(2,3)16-11(15)14-8-5-10(4-7-13)6-9-14/h10H,4-6,8-9H2,1-3H3 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.04 g/cm3 |
| Refractive index: | 1.475 |
| Specification: |
The (1-Boc-piperidin-4-yl)acetonitrile with the cas number 256411-39-9 is also called 1-Piperidinecarboxylicacid, 4-(cyanomethyl)-, 1,1-dimethylethyl ester. The systematic name is tert-butyl 4-(cyanomethyl)piperidine-1-carboxylate. Its molecular formula is C12H20N2O2. This chemical belongs to the following product categories: (1)Amines; (2)blocks; (3)Carboxes. The properties of the chemical are: (1)ACD/LogP: 1.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 101; (8)ACD/KOC (pH 7.4): 101; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 53.33 Å2; (13)Index of Refraction: 1.475; (14)Molar Refractivity: 60.68 cm3; (15)Molar Volume: 215.653 cm3; (16)Polarizability: 24.055×10-24cm3; (17)Surface Tension: 38.325 dyne/cm; (18)Enthalpy of Vaporization: 58.822 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C. You can still convert the following datas into molecular structure: |
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