CAS No.242459-44-5,(S)-1-N-BOC-2-CYANO-PIPERIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	242459-44-5
Name:	(S)-1-N-BOC-2-CYANO-PIPERIDINE
Article Data:	2

Formula:	C₁₁H₁₈N₂O₂
Molecular Weight:	210.27
Synonyms:	(S)-2-Cyano-piperidine-1-carboxylic acid tert-butyl ester;
Density:	1.07 g/cm³
Boiling Point:	325.3 °C at 760 mmHg
Flash Point:	150.5 °C
PSA:	53.33000
LogP:	2.23748

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Specification

The 1-Piperidinecarboxylicacid, 2-cyano-, 1,1-dimethylethyl ester, (2S)-, with the CAS registry number 242459-44-5, is also known as (S)-2-Cyano-piperidine-1-carboxylic acid tert-butyl ester. This chemical's molecular formula is C₁₁H₁₈N₂O₂ and molecular weight is 210.2728. Its systematic name is called tert-butyl (2S)-2-cyanopiperidine-1-carboxylate.

Physical properties of 1-Piperidinecarboxylicacid, 2-cyano-, 1,1-dimethylethyl ester, (2S)-: (1)ACD/LogP: 0.96; (2)ACD/LogD (pH 5.5): 0.96; (3)ACD/LogD (pH 7.4): 0.96; (4)ACD/BCF (pH 5.5): 3.18; (5)ACD/BCF (pH 7.4): 3.18; (6)ACD/KOC (pH 5.5): 79.6; (7)ACD/KOC (pH 7.4): 79.6; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.487; (11)Molar Refractivity: 56.59 cm³; (12)Molar Volume: 196.4 cm³; (13)Surface Tension: 40.7 dyne/cm; (14)Density: 1.07 g/cm³; (15)Flash Point: 150.5 °C; (16)Enthalpy of Vaporization: 56.74 kJ/mol; (17)Boiling Point: 325.3 °C at 760 mmHg; (18)Vapour Pressure: 0.000232 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#N)CCCC1
(2)InChI: InChI=1/C11H18N2O2/c1-11(2,3)15-10(14)13-7-5-4-6-9(13)8-12/h9H,4-7H2,1-3H3/t9-/m0/s1
(3)InChIKey: LKAJZBMOVZIKHA-VIFPVBQEBA