CAS No.77278-63-8,TERT-BUTYL 4-PHENYLPIPERAZINE-1-CARBOXYLATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	77278-63-8
Name:	TERT-BUTYL 4-PHENYLPIPERAZINE-1-CARBOXYLATE
Article Data:	22

Formula:	C₁₅H₂₂N₂O₂
Molecular Weight:	262.352
Synonyms:	N-(tert-Butoxycarbonyl)-N'-phenylpiperazine;
Density:	1.093 g/cm³
Melting Point:	70-71℃
Boiling Point:	372.2 °C at 760 mmHg
Flash Point:	178.9 °C
PSA:	32.78000
LogP:	2.74660

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Specification

The 1-Piperazinecarboxylicacid, 4-phenyl-, 1,1-dimethylethyl ester, with the CAS registry number 77278-63-8, is also known as tert-Butyl 4-phenylpiperazinecarboxylate. This chemical's molecular formula is C₁₅H₂₂N₂O₂ and molecular weight is 262.35. What's more, its systematic name is called tert-Butyl 4-phenylpiperazine-1-carboxylate.

Physical properties about 1-Piperazinecarboxylicacid, 4-phenyl-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.85; (4)ACD/LogD (pH 7.4): 2.25; (5)ACD/BCF (pH 5.5): 11.87; (6)ACD/BCF (pH 7.4): 29.96; (7)ACD/KOC (pH 5.5): 156.32; (8)ACD/KOC (pH 7.4): 394.55; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 32.78 Å²; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 74.83 cm³; (15)Molar Volume: 239.9 cm³; (16)Surface Tension: 41.5 dyne/cm; (17)Density: 1.093 g/cm³; (18)Flash Point: 178.9 °C; (19)Enthalpy of Vaporization: 61.93 kJ/mol; (20)Boiling Point: 372.2 °C at 760 mmHg; (21)Vapour Pressure: 9.8E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)(C)OC(=O)N1CCN(CC1)c2ccccc2
(2) InChI: InChI=1/C15H22N2O2/c1-15(2,3)19-14(18)17-11-9-16(10-12-17)13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3
(3) InChIKey: ALIYGTDWTPWSDQ-UHFFFAOYAV