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