CAS No.72351-59-8,Ethyl 1,4-dibenzylpiperazine-2-carboxylate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	72351-59-8
Name:	Ethyl 1,4-dibenzylpiperazine-2-carboxylate
Article Data:	27

Formula:	C₂₁H₂₆N₂O₂
Molecular Weight:	338.45
Synonyms:	2-Piperazinecarboxylicacid, 1,4-dibenzyl-, ethyl ester (7CI);1,4-Dibenzylpiperazine-2-carboxylicacid ethyl ester;Ethyl 1,4-bis(phenylmethyl)-2-piperazinecarboxylate;Ethyl1,4-dibenzylpiperazine-2-carboxylate;
Density:	1.13 g/cm³
Boiling Point:	442 °C at 760 mmHg
Flash Point:	221.1 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39-37/39
PSA:	32.78000
LogP:	2.81190

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Specification

The Ethyl 1,4-dibenzylpiperazine-2-carboxylate, with the CAS registry number 72351-59-8, is also known as 2-Piperazinecarboxylic acid, 1,4-bis(phenylmethyl)-, ethyl ester. It belongs to the product category of Piperazine Series. This chemical's molecular formula is C₂₁H₂₆N₂O₂ and formula weight is 338.44. What's more, its systematic name is called ethyl 1,4-dibenzylpiperazine-2-carboxylate.

Physical properties of Ethyl 1,4-dibenzylpiperazine-2-carboxylate: (1)ACD/LogP: 3.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.77; (4)ACD/LogD (pH 7.4): 3.2; (5)ACD/BCF (pH 5.5): 59.53; (6)ACD/BCF (pH 7.4): 157.67; (7)ACD/KOC (pH 5.5): 488.75; (8)ACD/KOC (pH 7.4): 1294.58; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Index of Refraction: 1.579; (13)Molar Refractivity: 99.49 cm³; (14)Molar Volume: 299.3 cm³; (15)Surface Tension: 47.2 dyne/cm; (16)Density: 1.13 g/cm³; (17)Flash Point: 221.1 °C; (18)Enthalpy of Vaporization: 69.94 kJ/mol; (19)Boiling Point: 442 °C at 760 mmHg; (20)Vapour Pressure: 5.2E-08 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It 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)SMILES: O=C(OCC)C2N(CCN(Cc1ccccc1)C2)Cc3ccccc3
(2)InChI: InChI=1/C21H26N2O2/c1-2-25-21(24)20-17-22(15-18-9-5-3-6-10-18)13-14-23(20)16-19-11-7-4-8-12-19/h3-12,20H,2,13-17H2,1H3
(3)InChIKey: KKXWTUYDLQVOOO-UHFFFAOYAM