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| CAS No.: | 199942-74-0 |
|---|---|
| Name: | (S)-1-N-Boc-piperidine-2-ethanol |
| Article Data: | 16 |
| Molecular Structure: | |
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| Formula: | C12H23NO3 |
| Molecular Weight: | 229.32 |
| Synonyms: | 1-Piperidinecarboxylic acid, 2-(2-hydroxyethyl)-, 1,1-dimethylethyl ester, (2S);tert-Butyl (2S)-2-(2-hydroxyethyl)piperidine-1-carboxylate; |
| Density: | 1.043 g/cm3 |
| Boiling Point: | 324.1 °C at 760 mmHg |
| Flash Point: | 149.8 °C |
| PSA: | 49.77000 |
| LogP: | 2.09630 |
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- Total:24 Page 1 of 1 1
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Specification
The CAS registry number of (S)-1-N-Boc-piperidine-2-ethanol is 199942-74-0. In addition, the molecular formula is C12H23NO3 and the molecular weight is 229.32. Its systematic name is tert-butyl (2S)-2-(2-hydroxyethyl)piperidine-1-carboxylate. What's more, it should be stored in sealed container, and put in a cool and dry place.
Physical properties about (S)-1-N-Boc-piperidine-2-ethanol are: (1)ACD/LogP : 1.38; (2)# of Rule of 5 Violations : 0; (3)ACD/LogD (pH 5.5) : 1.37; (4)ACD/LogD (pH 7.4) : 1.37; (5)ACD/BCF (pH 5.5) : 6.53; (6)ACD/BCF (pH 7.4) : 6.53; (7)ACD/KOC (pH 5.5) : 133.29; (8)ACD/KOC (pH 7.4) : 133.29; (9)#H bond acceptors : 4; (10)#H bond donors : 1; (11)#Freely Rotating Bonds : 5; (12)Polar Surface Area : 38.77 Å2; (13)Index of Refraction : 1.478; (14)Molar Refractivity : 62.3 cm3; (15)Molar Volume : 219.7 cm3; (16)Polarizability : 24.69 ×10-24cm3; (17)Surface Tension : 37.5 dyne/cm; (18)Density : 1.043 g/cm3; (19)Flash Point : 149.8 °C; (20)Enthalpy of Vaporization : 65.61 kJ/mol; (21)Boiling Point : 324.1 °C at 760 mmHg; (22)Vapour Pressure : 1.97E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N1[C@@H](CCCC1)CCO
(2)Std. InChI: InChI=1S/C12H23NO3/c1-12(2,3)16-11(15)13-8-5-4-6-10(13)7-9-14/h10,14H,4-9H2,1-3H3/t10-/m0/s1
(3)Std. InChIKey: LTVQOFUGXMVESU-JTQLQIEISA-N