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1-Piperidinecarboxylicacid, 4-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-, phenylmethyl ester (172348-56-0)

Identification
Name:1-Piperidinecarboxylicacid, 4-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-, phenylmethyl ester
Synonyms:1-N-Cbz-4-N-(Boc-aminomethyl)piperidine;
CAS:172348-56-0
Molecular Formula: C19H28N2O4
Molecular Weight: 348.44
InChI: InChI=1/C19H28N2O4/c1-19(2,3)25-17(22)20-13-15-9-11-21(12-10-15)18(23)24-14-16-7-5-4-6-8-16/h4-8,15H,9-14H2,1-3H3,(H,20,22)
Molecular Structure: (C19H28N2O4) 1-N-Cbz-4-N-(Boc-aminomethyl)piperidine;
Properties
Density:1.117 g/cm3
Refractive index:1.523
Specification:

The 1-N-Cbz-4-N-(Boc-aminomethyl)piperidine with the CAS number 172348-56-0 is also called 1-Piperidinecarboxylicacid, 4-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-, phenylmethyl ester. The systematic name is benzyl 4-{[(tert-butoxycarbonyl)amino]methyl}piperidine-1-carboxylate. Its molecular formula is C19H28N2O4. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 1-N-Cbz-4-N-(Boc-aminomethyl)piperidine are: (1)ACD/LogP: 3.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.33; (4)ACD/LogD (pH 7.4): 3.33; (5)ACD/BCF (pH 5.5): 200.51; (6)ACD/BCF (pH 7.4): 200.51; (7)ACD/KOC (pH 5.5): 1546.96; (8)ACD/KOC (pH 7.4): 1546.95; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 67.87Å2; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 95.25 cm3; (15)Molar Volume: 311.7 cm3; (16)Polarizability: 37.76×10-24cm3; (17)Surface Tension: 42.2 dyne/cm; (18)Enthalpy of Vaporization: 74.98 kJ/mol; (19)Vapour Pressure: 1.53×10-9 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCc1ccccc1)N2CCC(CNC(=O)OC(C)(C)C)CC2
(2)InChI: InChI=1/C19H28N2O4/c1-19(2,3)25-17(22)20-13-15-9-11-21(12-10-15)18(23)24-14-16-7-5-4-6-8-16/h4-8,15H,9-14H2,1-3H3,(H,20,22)
(3)InChIKey: XZERNIFFYYTUKJ-UHFFFAOYAD

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