N-Boc-D-2-piperidinecarboxamide supplier

Name
(R)-1-N-BOC-PIPECOLAMIDE
EINECS
CAS No. 848488-91-5
Article Data6
CAS DataBase
Density 1.123 g/cm³
Solubility
Melting Point
Formula C₁₁H₂₀N₂O₃
Boiling Point 384.4 °C at 760 mmHg
Molecular Weight 228.291
Flash Point 186.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (R)-2-Carbamoylpiperidine-1-carboxylicacid tert-butyl ester;
PSA 72.63000
LogP 1.89950

N-Boc-D-2-piperidinecarboxamide 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

Product Name

(R)-1-N-BOC-PIPECOLAMIDE

N-Boc-D-2-piperidinecarboxamide Specification

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