CAS No.78058-41-0,(S)-1-N-BOC-PIPERIDINE-2-CARBOXAMIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	78058-41-0
Name:	(S)-1-N-BOC-PIPERIDINE-2-CARBOXAMIDE
Article Data:	10

Formula:	C₁₁H₂₀N₂O₃
Molecular Weight:	228.291
Synonyms:	1-Piperidinecarboxylicacid, 2-(aminocarbonyl)-, 1,1-dimethylethyl ester, (S)-;(S)-2-Carbamoylpiperidine-1-carboxylic acid 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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Specification

The CAS register number of N-Boc-L-2-piperidinecarboxamide is 78058-41-0. It also can be called as 1-Piperidinecarboxylicacid, 2-(aminocarbonyl)-, 1,1-dimethylethyl ester, (2S)- and the systematic name about this chemical is tert-butyl (2S)-2-carbamoylpiperidine-1-carboxylate. The molecular formula about this chemical is C₁₁H₂₀N₂O₃and molecular weight is 228.29.

Physical properties about N-Boc-L-2-piperidinecarboxamide are: (1)ACD/LogP: 0.18; (2)ACD/LogD (pH 5.5): 0.18; (3)ACD/LogD (pH 7.4): 0.18; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 29.7; (7)ACD/KOC (pH 7.4): 29.7; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 49.85Å²; (12)Index of Refraction: 1.498; (13)Molar Refractivity: 59.54 cm³; (14)Molar Volume: 203.1 cm³; (15)Polarizability: 23.6x10^-24cm³; (16)Surface Tension: 43.6 dyne/cm; (17)Enthalpy of Vaporization: 63.31 kJ/mol; (18)Boiling Point: 384.4 °C at 760 mmHg; (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-/m0/s1
(3)InChIKey: KIFYKONQFFJILQ-QMMMGPOBBY
(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-/m0/s1
(5)Std. InChIKey: KIFYKONQFFJILQ-QMMMGPOBSA-N