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| CAS No.: | 848488-91-5 |
|---|---|
| Name: | (R)-1-N-BOC-PIPECOLAMIDE |
| Molecular Structure: | |
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| Formula: | C11H20N2O3 |
| Molecular Weight: | 228.291 |
| Synonyms: | (R)-2-Carbamoylpiperidine-1-carboxylicacid tert-butyl ester; |
| Density: | 1.123 g/cm3 |
| Boiling Point: | 384.4 °C at 760 mmHg |
| Flash Point: | 186.3 °C |
| PSA: | 72.63000 |
| LogP: | 1.89950 |
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- Total:33 Page 1 of 1 1
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Specification
The N-Boc-D-2-piperidinecarboxamide, with CAS registry number 848488-91-5, has the systematic name of tert-butyl (2R)-2-carbamoylpiperidine-1-carboxylate. Besids this, it is also called 1-Piperidinecarboxylic acid, 2-(aminocarbonyl)-, 1,1-dimethylethyl ester, (2R)-. And the chemical formula of this chemical is C11H20N2O3.
Physical properties of N-Boc-D-2-piperidinecarboxamide: (1)ACD/LogP: 0.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.18; (4)ACD/LogD (pH 7.4): 0.18; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 29.7; (8)ACD/KOC (pH 7.4): 29.7; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 49.85 Å2; (13)Index of Refraction: 1.498; (14)Molar Refractivity: 59.54 cm3; (15)Molar Volume: 203.1 cm3; (16)Polarizability: 23.6×10-24cm3; (17)Surface Tension: 43.6 dyne/cm; (18)Enthalpy of Vaporization: 63.31 kJ/mol; (19)Vapour Pressure: 4.1E-06 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](C(=O)N)CCCC1
(2)InChI: InChI=1/C11H20N2O3/c1-11(2,3)16-10(15)13-7-5-4-6-8(13)9(12)14/h8H,4-7H2,1-3H3,(H2,12,14)/t8-/m1/s1
(3)InChIKey: KIFYKONQFFJILQ-MRVPVSSYBA
(4)Std. InChI: InChI=1S/C11H20N2O3/c1-11(2,3)16-10(15)13-7-5-4-6-8(13)9(12)14/h8H,4-7H2,1-3H3,(H2,12,14)/t8-/m1/s1
(5)Std. InChIKey: KIFYKONQFFJILQ-MRVPVSSYSA-N