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320580-76-5

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Basic Information
CAS No.: 320580-76-5
Name: 1-Piperidinecarboxylic acid, 3-[[(phenylmethoxy)carbonyl]amino]-, 1,1-dimethylethyl ester, (3R)-
Article Data: 1
Molecular Structure:
Molecular Structure of 320580-76-5 (1-Piperidinecarboxylic acid, 3-[[(phenylmethoxy)carbonyl]amino]-, 1,1-dimethylethyl ester, (3R)-)
Formula: C18H26N2O4
Molecular Weight: 334.415
Synonyms: 1-Piperidinecarboxylic acid, 3-[[(phenylmethoxy)carbonyl]amino]-, 1,1-dimethylethyl ester, (3R)-;tert-Butyl (3R)-3-[[(benzyloxy)carbonyl]amino]piperidine-1-carboxylate;(R)-tert-butyl 3-(benzyloxycarbonylamino)piperidine-1-carboxylate;(R)-1-Boc-(3-Cbz-aMino)piperidine;1-Boc-(3R)-3-Cbz-aMinopiperidine
Density: 1.156 g/cm3
Boiling Point: 471.6 °C at 760 mmHg
Flash Point: 239 °C
Safety: 24/25
PSA: 67.87000
LogP: 3.64110
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Specification

The cas register number of tert-Butyl (3R)-3-[[(benzyloxy)carbonyl]amino]piperidine-1-carboxylate is 320580-76-5. It also can be called as 1-Piperidinecarboxylicacid, 3-[[(phenylmethoxy)carbonyl]amino]-, 1,1-dimethylethyl ester, (3R)- and the Systematic name about this chemical is 1-piperidinecarboxylic acid, 3-[[(phenylmethoxy)carbonyl]amino]-, 1,1-dimethylethyl ester, (3R)-.

Physical properties about tert-Butyl (3R)-3-[[(benzyloxy)carbonyl]amino]piperidine-1-carboxylate are: (1)ACD/LogP: 3.11; (2)ACD/LogD (pH 5.5): 3.11; (3)ACD/LogD (pH 7.4): 3.11; (4)ACD/BCF (pH 5.5): 134.88; (5)ACD/BCF (pH 7.4): 134.88; (6)ACD/KOC (pH 5.5): 1164.74; (7)ACD/KOC (pH 7.4): 1164.71; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 67.87Å2; (12)Index of Refraction: 1.545; (13)Molar Refractivity: 91.5 cm3; (14)Molar Volume: 289.2 cm3; (15)Polarizability: 36.27x10-24cm3; (16)Surface Tension: 46.4 dyne/cm; (17)Enthalpy of Vaporization: 73.44 kJ/mol; (18)Vapour Pressure: 4.6E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CCC[C@H](C1)NC(=O)OCc2ccccc2
(2)InChI: InChI=1/C18H26N2O4/c1-18(2,3)24-17(22)20-11-7-10-15(12-20)19-16(21)23-13-14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-13H2,1-3H3,(H,19,21)/t15-/m1/s1
(3)InChIKey: DPJNXCVNNCIYKQ-OAHLLOKOBH
(4)Std. InChI: InChI=1S/C18H26N2O4/c1-18(2,3)24-17(22)20-11-7-10-15(12-20)19-16(21)23-13-14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-13H2,1-3H3,(H,19,21)/t15-/m1/s1
(5)Std. InChIKey: DPJNXCVNNCIYKQ-OAHLLOKOSA-N