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1-Boc-4-(2-formylphenyl)piperazine

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Name

1-Boc-4-(2-formylphenyl)piperazine

EINECS N/A
CAS No. 174855-57-3 Density 1.154 g/cm3
PSA 49.85000 LogP 2.55910
Solubility N/A Melting Point 86-90 °C
Formula C16H22N2O3 Boiling Point 425.3 °C at 760 mmHg
Molecular Weight 290.362 Flash Point 211 °C
Transport Information UN 2811 Appearance Solid
Safety 36/37-45 Risk Codes 25-43
Molecular Structure Molecular Structure of 174855-57-3 (4-(2-FORMYLPHENYL)PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER) Hazard Symbols ToxicT
Synonyms

1,1-Dimethylethyl4-(2-formylphenyl)piperazine-1-carboxylate;2-[4-(tert-Butoxycarbonyl)piperazin-1-yl]benzaldehyde;4-(2-Formylphenyl)-1-piperazinecarboxylic acid 1,1-dimethylethyl ester;tert-Butyl 4-(2-formylphenyl)piperazine-1-carboxylate;

Article Data 11

1-Boc-4-(2-formylphenyl)piperazine Specification

The 1-Boc-4-(2-formylphenyl)piperazine with the CAS number 174855-57-3 is also called 1-Piperazinecarboxylicacid, 4-(2-formylphenyl)-, 1,1-dimethylethyl ester. The systematic name is tert-butyl 4-(2-formylphenyl)piperazine-1-carboxylate. Its molecular formula is C16H22N2O3. The product category is piperazines.

The properties of the 1-Boc-4-(2-formylphenyl)piperazine are: (1)ACD/LogP: 1.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.65; (4)ACD/LogD (pH 7.4): 1.68; (5)ACD/BCF (pH 5.5): 10.32; (6)ACD/BCF (pH 7.4): 11.1; (7)ACD/KOC (pH 5.5): 181.15; (8)ACD/KOC (pH 7.4): 194.82; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 49.85 Å2; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 81.59 cm3; (15)Molar Volume: 251.6 cm3; (16)Polarizability: 32.34×10-24cm3; (17)Surface Tension: 46.3 dyne/cm; (18)Enthalpy of Vaporization: 68 kJ/mol; (19)Vapour Pressure: 1.93×10-7 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is toxic if swallowed and may cause sensitization by skin contact. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing and gloves. Then in case of accident or if you feel unwell, you should seek medical advice immediately (show the label whenever possible).

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N2CCN(c1c(cccc1)C=O)CC2
(2)InChI: InChI=1/C16H22N2O3/c1-16(2,3)21-15(20)18-10-8-17(9-11-18)14-7-5-4-6-13(14)12-19/h4-7,12H,8-11H2,1-3H3
(3)InChIKey: FGJACYJASSSXNJ-UHFFFAOYAN

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