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1-Piperidinecarboxylicacid, 3-cyano-, 1,1-dimethylethyl ester, (3R)- (915226-44-7)

Identification
Name:1-Piperidinecarboxylicacid, 3-cyano-, 1,1-dimethylethyl ester, (3R)-
Synonyms:1-N-Boc-3-(R)-cyanopiperidine;(R)-3-Cyano-piperidine-1-carboxylic acid tert-butyl ester;
CAS:915226-44-7
Molecular Formula: C11H18N2O2
Molecular Weight: 210.27
InChI: InChI=1/C11H18N2O2/c1-11(2,3)15-10(14)13-6-4-5-9(7-12)8-13/h9H,4-6,8H2,1-3H3/t9-/m0/s1
Molecular Structure: (C11H18N2O2) 1-N-Boc-3-(R)-cyanopiperidine;(R)-3-Cyano-piperidine-1-carboxylic acid tert-butyl ester;
Properties
Density:1.07 g/cm3
Refractive index:1.487
Specification:

The 1-N-Boc-3-(R)-cyanopiperidine with the CAS number 915226-44-7 is also called 1-Piperidinecarboxylicacid, 3-cyano-, 1,1-dimethylethyl ester, (3R)-. The systematic name is tert-butyl (3R)-3-cyanopiperidine-1-carboxylate. Its molecular formula is C11H18N2O2. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 0.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.93; (4)ACD/LogD (pH 7.4): 0.93; (5)ACD/BCF (pH 5.5): 2.99; (6)ACD/BCF (pH 7.4): 2.99; (7)ACD/KOC (pH 5.5): 76.29; (8)ACD/KOC (pH 7.4): 76.29; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 53.33 Å2; (13)Index of Refraction: 1.487; (14)Molar Refractivity: 56.59 cm3; (15)Molar Volume: 196.4 cm3; (16)Polarizability: 22.43×10-24cm3; (17)Surface Tension: 40.7 dyne/cm; (18)Enthalpy of Vaporization: 56.74 kJ/mol; (19)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)N1C[C@H](C#N)CCC1
(2)InChI: InChI=1/C11H18N2O2/c1-11(2,3)15-10(14)13-6-4-5-9(7-12)8-13/h9H,4-6,8H2,1-3H3/t9-/m0/s1
(3)InChIKey: UEFZTXGFHKPSFS-VIFPVBQEBJ

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