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1-Piperidinecarboxylicacid, 3-(aminocarbonyl)-, phenylmethyl ester (569348-14-7)

Identification
Name:1-Piperidinecarboxylicacid, 3-(aminocarbonyl)-, phenylmethyl ester
Synonyms:1-Cbz-3-piperidinecarboxamide;
CAS:569348-14-7
Molecular Formula: C14H18N2O3
Molecular Weight: 0
InChI: InChI=1/C14H18N2O3/c15-13(17)12-7-4-8-16(9-12)14(18)19-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H2,15,17)
Molecular Structure: (C14H18N2O3) 1-Cbz-3-piperidinecarboxamide;
Properties
Density:1.224 g/cm3
Refractive index:1.568
Specification:

The 1-Cbz-3-piperidinecarboxamide with the CAS number 569348-14-7 is also called 1-Piperidinecarboxylicacid, 3-(aminocarbonyl)-, phenylmethyl ester. The systematic name is benzyl 3-carbamoylpiperidine-1-carboxylate. Its molecular formula is C14H18N2O3. 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: 0.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.76; (4)ACD/LogD (pH 7.4): 0.76; (5)ACD/BCF (pH 5.5): 2.21; (6)ACD/BCF (pH 7.4): 2.21; (7)ACD/KOC (pH 5.5): 61.37; (8)ACD/KOC (pH 7.4): 61.37; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 72.63 Å2; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 70.17 cm3; (15)Molar Volume: 214.2 cm3; (16)Polarizability: 27.81×10-24cm3; (17)Surface Tension: 53.4 dyne/cm; (18)Enthalpy of Vaporization: 73.9 kJ/mol; (19)Vapour Pressure: 3.3×10-9 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCc1ccccc1)N2CCCC(C2)C(N)=O
(2)InChI: InChI=1/C14H18N2O3/c15-13(17)12-7-4-8-16(9-12)14(18)19-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H2,15,17)
(3)InChIKey: JVNTYSRHYYSZEM-UHFFFAOYAS

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