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| CAS No.: | 534595-51-2 |
|---|---|
| Name: | 1-Boc-4-Isopropylaminopiperidine |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C13H26N2O2 |
| Molecular Weight: | 242.362 |
| Synonyms: | 4-Isopropylaminopiperidine-1-carboxylicacid tert-butyl ester;1-Boc-4-Isopropylaminopiperidine; |
| Density: | 0.99 g/cm3 |
| Boiling Point: | 317.6 °C at 760 mmHg |
| Flash Point: | 145.9 °C |
| PSA: | 41.57000 |
| LogP: | 2.71270 |
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- Total:31 Page 1 of 1 1
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Specification
The 1-Boc-4-Isopropylaminopiperidine with the cas number 534595-51-2 is also called 1-Piperidinecarboxylicacid, 4-[(1-methylethyl)amino]-, 1,1-dimethylethyl ester. The systematic name is tert-butyl 4-[(1-methylethyl)amino]piperidine-1-carboxylate. Its molecular formula is C13H26N2O2.
The properties of the chemical are: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1.38; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 41.57 Å2; (11)Index of Refraction: 1.482; (12)Molar Refractivity: 69.54 cm3; (13)Molar Volume: 243.6 cm3; (14)Polarizability: 27.56×10-24cm3; (15)Surface Tension: 35.1 dyne/cm; (16)Enthalpy of Vaporization: 55.9 kJ/mol; (17)Vapour Pressure: 0.000381 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)NC1CCN(CC1)C(=O)OC(C)(C)C
(2)InChI: InChI=1/C13H26N2O2/c1-10(2)14-11-6-8-15(9-7-11)12(16)17-13(3,4)5/h10-11,14H,6-9H2,1-5H3
(3)InChIKey: GVPSIFSYYZXVQC-UHFFFAOYAB