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1-Piperazinecarboxylicacid, 4-[4-amino-2-(trifluoromethyl)phenyl]-, 1,1-dimethylethyl ester

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Name

1-Piperazinecarboxylicacid, 4-[4-amino-2-(trifluoromethyl)phenyl]-, 1,1-dimethylethyl ester

EINECS 200-258-5
CAS No. 193902-87-3 Density 1.252 g/cm3
PSA 58.80000 LogP 3.92880
Solubility N/A Melting Point N/A
Formula C16H22F3N3O2 Boiling Point 446.521 °C at 760 mmHg
Molecular Weight 345.365 Flash Point 223.848 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 193902-87-3 (4-(4-AMINO-2-TRIFLUOROMETHYL-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER) Hazard Symbols N/A
Synonyms

4-(4-Amino-2-trifluoromethylphenyl)piperazine-1-carboxylicacid tert-butyl ester;

Article Data 7

1-Piperazinecarboxylicacid, 4-[4-amino-2-(trifluoromethyl)phenyl]-, 1,1-dimethylethyl ester 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

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