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1000576-83-9

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Basic Information
CAS No.: 1000576-83-9
Name: N-Boc-3-dimethylaminopiperidine
Article Data: 3
Molecular Structure:
Molecular Structure of 1000576-83-9 (N-Boc-3-dimethylaminopiperidine)
Formula: C12H24N2O2
Molecular Weight: 228.335
Synonyms: 1-(tert-Butyloxycarbonyl)-3-dimethylaminopiperidine;
Density: 1.01 g/cm3
Boiling Point: 295.4 °C at 760 mmHg
Flash Point: 132.5 °C
PSA: 32.78000
LogP: 1.88540
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Specification

The 1-Piperidinecarboxylicacid, 3-(dimethylamino)-, 1,1-dimethylethyl ester, with the CAS registry number 1000576-83-9, is also known as 1-N-Boc-3-(dimethylamino)piperidine. This chemical's molecular formula is C12H24N2O2 and molecular weight is 228.3312. What's more, its systematic name is tert-Butyl 3-dimethylaminopiperidine-1-carboxylate.

Physical properties about 1-Piperidinecarboxylicacid, 3-(dimethylamino)-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 1.27; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 32.78 Å2; (7)Index of Refraction: 1.489; (8)Molar Refractivity: 65.16 cm3; (9)Molar Volume: 225.5 cm3; (10)Polarizability: 25.83×10-24 cm3; (11)Surface Tension: 36.2 dyne/cm; (12)Density: 1.01 g/cm3; (13)Flash Point: 132.5 °C; (14)Enthalpy of Vaporization: 53.51 kJ/mol; (15)Boiling Point: 295.4 °C at 760 mmHg; (16)Vapour Pressure: 0.00153 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CN(C)C1CCCN(C1)C(=O)OC(C)(C)C
(2) InChI: InChI=1/C12H24N2O2/c1-12(2,3)16-11(15)14-8-6-7-10(9-14)13(4)5/h10H,6-9H2,1-5H3
(3) InChIKey: HFIAGQNFPTWBQZ-UHFFFAOYAV