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1-Piperidinecarboxylicacid, 3-bromo-, 1,1-dimethylethyl ester (849928-26-3)

Identification
Name:1-Piperidinecarboxylicacid, 3-bromo-, 1,1-dimethylethyl ester
Synonyms:1-Boc-3-bromopiperidine;3-Bromo-1-piperidinecarboxylic acid tert-butyl ester;
CAS:849928-26-3
Molecular Formula: C10H18BrNO2
Molecular Weight: 264.16
InChI: InChI=1/C10H18BrNO2/c1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h8H,4-7H2,1-3H3
Molecular Structure: (C10H18BrNO2) 1-Boc-3-bromopiperidine;3-Bromo-1-piperidinecarboxylic acid tert-butyl ester;
Properties
Density:1.327
Refractive index:1.506
Specification:

The CAS register number of 1-Boc-3-bromopiperidine is 849928-26-3. It also can be called as 3-Bromo-1-piperidinecarboxylic acid tert-butyl ester and the systematic name about this chemical is 1-piperidinecarboxylic acid, 3-bromo-, 1,1-dimethylethyl ester. The molecular formula about this chemical is C10H18BrNO2 and the molecular weight is 264.16.

Physical properties about 1-Boc-3-bromopiperidine are: (1)ACD/LogP: 2.21; (2)ACD/LogD (pH 5.5): 2.21; (3)ACD/LogD (pH 7.4): 2.21; (4)ACD/BCF (pH 5.5): 28.08; (5)ACD/BCF (pH 7.4): 28.08; (6)ACD/KOC (pH 5.5): 378.78; (7)ACD/KOC (pH 7.4): 378.78; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 29.54Å2; (11)Index of Refraction: 1.506; (12)Molar Refractivity: 59.22 cm3; (13)Molar Volume: 199 cm3; (14)Polarizability: 23.47x10-24cm3; (15)Surface Tension: 39.7 dyne/cm; (16)Enthalpy of Vaporization: 53.64 kJ/mol; (17)Boiling Point: 296.6 °C at 760 mmHg; (18)Vapour Pressure: 0.00142 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CCCC(C1)Br
(2)InChI: InChI=1/C10H18BrNO2/c1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h8H,4-7H2,1-3H3
(3)InChIKey: YCUDHDNCZHPAJK-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C10H18BrNO2/c1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h8H,4-7H2,1-3H3
(5)Std. InChIKey: YCUDHDNCZHPAJK-UHFFFAOYSA-N

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