CAS No.304897-49-2,4-(4-Aminobenzyl)piperazine-1-carboxylic acid tert-butyl ester Suppliers

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Basic Information

Molecular Structure:
CAS No.:	304897-49-2
Name:	4-(4-Aminobenzyl)piperazine-1-carboxylic acid tert-butyl ester
Article Data:	16

Formula:	C₁₆H₂₅N₃O₂
Molecular Weight:	291.393
Synonyms:	tert-butyl 4-(4-aminobenzyl)piperazine-1-carboxylate;
Density:	1.137 g/cm³
Boiling Point:	413.599 °C at 760 mmHg
Flash Point:	203.938 °C
PSA:	58.80000
LogP:	2.77850

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Specification

The 4-(4-Aminobenzyl)piperazine-1-carboxylic acid tert-butyl ester, with the cas registry number 304897-49-2, has the systematic name of tert-butyl 4-(4-aminobenzyl)piperazine-1-carboxylate. Its molecular fomula is C₁₆H₂₅N₃O₂.It is also called 4-(4-aminobenzyl)piperazine-1-carboxylic acid tert-butyl ester and its IUPAC name is tert-butyl 4-[(4-aminophenyl)methyl]piperazine-1-carboxylate.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.85; (2) #of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 29; (8)ACD/KOC (pH 7.4): 104; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 58.8 Å²; (13)Index of Refraction: 1.567; (14)Molar Refractivity: 83.797 cm³; (15)Molar Volume: 256.342 cm³; (16)Polarizability: 33.22×10^-24cm³; (17)Surface Tension: 48.711 dyne/cm; (18)Density: 1.137 g/cm³; (29)Flash Point: 203.938 ℃; (20)Enthalpy of Vaporization: 66.64 kJ/mol; (21)Boiling Point: 413.599 ℃ at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25℃.

You can still convert the following datas into molecular structure :
(1)SMILES: CC(C)(C)OC(=O)N2CCN(Cc1ccc(N)cc1)CC2
(2)InChI: InChI=1/C16H25N3O2/c1-16(2,3)21-15(20)19-10-8-18(9-11-19)12-13-4-6-14(17)7-5-13/h4-7H,8-12,17H2,1-3H3
(3)InChIKey: ZTYRRWNDQSVOCL-UHFFFAOYAF