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| CAS No.: | 896103-62-1 |
|---|---|
| Name: | tert-Butyl 4-(2-(methylamino)ethyl)piperidine-1-carboxylate |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C13H26N2O2 |
| Molecular Weight: | 242.362 |
| Synonyms: | 4-(2-methylaminoethyl)piperidine-1-carboxylic acid tert-butyl ester;1-Boc-4-(2-(Methylamino)ethyl)piperidine;tert-butyl 4-(2-(methylamino)ethyl)piperidine-1-carboxylate; |
| EINECS: | 604-604-1 |
| Density: | 0.979 g/cm3 |
| Boiling Point: | 317.759 °C at 760 mmHg |
| Flash Point: | 145.976 °C |
| PSA: | 41.57000 |
| LogP: | 2.57180 |
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- Total:31 Page 1 of 1 1
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Specification
The IUPAC name of this chemical is tert-Butyl 4-(2-(methylamino)ethyl)piperidine-1-carboxylate. The CAS registry number is 896103-62-1. In addition, the molecular formula is C13H26N2O2 and the molecular weight is 242.36. It should be stored in a cool and dry place.
Physical properties about this chemical are: (1)ACD/LogP: 1.75; (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): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 5; (9)Polar Surface Area: 41.57 Å2; (10)Index of Refraction: 1.469; (11)Molar Refractivity: 68.994 cm3; (12)Molar Volume: 247.592 cm3; (13)Polarizability: 27.351 ×10-24cm3; (14)Surface Tension: 33.469 dyne/cm; (15)Density: 0.979 g/cm3; (16)Flash Point: 145.976 °C; (17)Enthalpy of Vaporization: 55.92 kJ/mol; (18)Boiling Point: 317.759 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CCC(CC1)CCNC
(2)InChI: InChI=1/C13H26N2O2/c1-13(2,3)17-12(16)15-9-6-11(7-10-15)5-8-14-4/h11,14H,5-10H2,1-4H3
(3)InChIKey: PAWONGOVVNXTDP-UHFFFAOYAI