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2759-28-6

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Basic Information
CAS No.: 2759-28-6
Name: 1-Benzylpiperazine
Article Data: 101
Cas Database
Molecular Structure:
Molecular Structure of 2759-28-6 (1-Benzylpiperazine)
Formula: C11H16N2
Molecular Weight: 176.261
Synonyms: N-Benylpiperazine;1-Benzylpiperazine;BENZYLPIPERAZINE;1-benzyl-piperazine;1-BENZYL-4-PIPERAZINE;2-Piperidinopyrimidine;N-phenylmethylpiperazine;4-BENZYLPIPERAZINE;Piperazine,1-benzyl;N-Benzylpiperazine;
EINECS: 220-423-6
Density: 1.025 g/cm3
Melting Point: 17-20 °C
Boiling Point: 272.1 °C at 760 mmHg
Flash Point: 115.6 °C
Solubility: N/A
Appearance: clear colorless to yellow liquid
Hazard Symbols: CorrosiveC,IrritantXi
Risk Codes: 34
Safety: 26-36/37/39-45
Transport Information: N/A
PSA: 15.27000
LogP: 1.35850
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Specification

The 1-Benzylpiperazine is an organic compound with the formula C11H16N2. The IUPAC name of this chemical is 1-benzylpiperazine. With the CAS registry number 2759-28-6, it is also named as Piperazine, 1- (phenylmethyl)-. The product's categories are Piperidine; Pharmaceutical Intermediates; Pharmacetical; Piperaizine; Piperazines; Building Blocks; BA - BHBuilding Blocks; Alphabetic; B; Heterocyclic Building Blocks. Besides, it is clear colorless to yellow liquid.

Physical properties about 1-Benzylpiperazine are:
(1)ACD/LogP: 1.36; (2)ACD/LogD (pH 5.5): -1.67; (3)ACD/LogD (pH 7.4): -0.56; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1.59; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 6.48 Å2; (12)Index of Refraction: 1.547; (13)Molar Refractivity: 54.52 cm3; (14)Molar Volume: 171.8 cm3; (15)Polarizability: 21.61×10-24cm3; (16)Surface Tension: 38.8 dyne/cm; (17)Density: 1.025 g/cm3; (18)Flash Point: 115.6 °C; (19)Enthalpy of Vaporization: 51.04 kJ/mol; (20)Boiling Point: 272.1 °C at 760 mmHg; (21)Vapour Pressure: 0.00619 mmHg at 25°C.

Preparation of 1-Benzylpiperazine:
1-Benzylpiperazine can be prepared by 4-benzyl-piperazine-1-carboxylic acid ethyl ester. This reaction will need reagent KOH and solvent methanol by heating. The yield is about 69%.


Uses of 1-Benzylpiperazine:
It can be used to produce 4-benzyl-piperazine-1-carboxylic acid amide at temperature of 50 - 60 °C.  It will need solvent H2O with reaction time of 30 min. The yield is about 83%.


Safety information of 1-Benzylpiperazine:
When you are using this chemical, please be cautious about it as the following:It can cause burns. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. When you are using it, wear suitable gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(cccc1)CN2CCNCC2
(2)InChI: InChI=1/C11H16N2/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13/h1-5,12H,6-10H2
(3)InChIKey: IQXXEPZFOOTTBA-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C11H16N2/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13/h1-5,12H,6-10H2
(5)Std. InChIKey: IQXXEPZFOOTTBA-UHFFFAOYSA-N