Name: 4-(4-AMINO-2-TRIFLUOROMETHYL-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
SKU: 193902-87-3

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Basic Information

Molecular Structure:
CAS No.:	193902-87-3
Name:	4-(4-AMINO-2-TRIFLUOROMETHYL-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Article Data:	7

Formula:	C₁₆H₂₂F₃N₃O₂
Molecular Weight:	345.365
Synonyms:	4-(4-Amino-2-trifluoromethylphenyl)piperazine-1-carboxylicacid tert-butyl ester;
EINECS:	200-258-5
Density:	1.252 g/cm³
Boiling Point:	446.521 °C at 760 mmHg
Flash Point:	223.848 °C
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	58.80000
LogP:	3.92880

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Specification

The 1-Piperazinecarboxylicacid, 4-[4-amino-2-(trifluoromethyl)phenyl]-, 1,1-dimethylethyl ester, with the CAS registry number 193902-87-3, is also known as 4-(4-Amino-2-trifluoromethyl-phenyl)-piperazine-1-carboxylic acid tert-butyl ester. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C₁₆H₂₂F₃N₃O₂ and molecular weight is 345.35999. Its IUPAC name is called tert-butyl 4-[4-amino-2-(trifluoromethyl)phenyl]piperazine-1-carboxylate.

Physical properties of 1-Piperazinecarboxylicacid, 4-[4-amino-2-(trifluoromethyl)phenyl]-, 1,1-dimethylethyl ester: (1)ACD/LogP: 2.52; (2)ACD/LogD (pH 5.5): 1.99; (3)ACD/LogD (pH 7.4): 2.505; (4)ACD/BCF (pH 5.5): 14.314; (5)ACD/BCF (pH 7.4): 46.823; (6)ACD/KOC (pH 5.5): 165.568; (7)ACD/KOC (pH 7.4): 541.595; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.522; (12)Molar Refractivity: 84.055 cm³; (13)Molar Volume: 275.735 cm³; (14)Surface Tension: 41.33 dyne/cm; (15)Density: 1.253 g/cm³; (16)Flash Point: 223.848 °C; (17)Enthalpy of Vaporization: 70.47 kJ/mol; (18)Boiling Point: 446.521 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2)N)C(F)(F)F
(2)InChI: InChI=1S/C16H22F3N3O2/c1-15(2,3)24-14(23)22-8-6-21(7-9-22)13-5-4-11(20)10-12(13)16(17,18)19/h4-5,10H,6-9,20H2,1-3H3
(3)InChIKey: PYQPVPBYELLURV-UHFFFAOYSA-N