CAS No.170011-57-1,4-P-AMINOPHENYL-1-BOC-PIPERIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	170011-57-1
Name:	4-P-AMINOPHENYL-1-BOC-PIPERIDINE
Article Data:	29

Formula:	C₁₆H₂₄N₂O₂
Molecular Weight:	276.379
Synonyms:	tert-Butyl 4-(4-aminophenyl)-1-piperidinecarboxylate;
Density:	1.1 g/cm³
Melting Point:	119 °C
Boiling Point:	412.737 °C at 760 mmHg
Flash Point:	203.417 °C
PSA:	55.56000
LogP:	3.90240

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Specification

The 4-(4-Aminophenyl)piperidine-1-carboxylic acid tert-butyl ester, with the cas registry number 170011-57-1, has the systematic name of tert-butyl 4-(4-aminophenyl)piperidine-1-carboxylate. And the molecular formula of the chemical is C₁₆H₂₄N₂O₂.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 26; (6)ACD/BCF (pH 7.4): 34; (7)ACD/KOC (pH 5.5): 326; (8)ACD/KOC (pH 7.4): 433; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 55.56 Å²; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 80.12 cm³; (15)Molar Volume: 251.162 cm³; (16)Polarizability: 31.762×10^-24cm³; (17)Surface Tension: 44.54 dyne/cm; (18)Density: 1.1 g/cm³; (19)Flash Point: 203.417 °C; (20)Enthalpy of Vaporization: 66.541 kJ/mol; (21)Boiling Point: 412.737 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Nc1ccc(cc1)C2CCN(CC2)C(=O)OC(C)(C)C
(2)InChI: InChI=1/C16H24N2O2/c1-16(2,3)20-15(19)18-10-8-13(9-11-18)12-4-6-14(17)7-5-12/h4-7,13H,8-11,17H2,1-3H3
(3)InChIKey: YRLQFRXDWBFGMK-UHFFFAOYAT