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1-(4-Cyanobenzyl)piperazine

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Name

1-(4-Cyanobenzyl)piperazine

EINECS
CAS No. 89292-70-6 Density 1.13 g/cm3
Solubility Melting Point
Formula C12H15N3 Boiling Point 348.9 °C at 760 mmHg
Molecular Weight 201.27 Flash Point 164.8 °C
Transport Information Appearance
Safety 26-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 89292-70-6 (1-(4-Cyanobenzyl)piperazine) Hazard Symbols IrritantXi
Synonyms

1-(4-Cyano-benzyl)-piperazine;

 

1-(4-Cyanobenzyl)piperazine Specification

The 1-(4-Cyanobenzyl)piperazine is an organic compound with the formula C12H15N3. The systematic name of this chemical is 4-(piperazin-1-ylmethyl)benzonitrile. With the CAS registry number 89292-70-6, it is also named as Benzonitrile, 4-(1-piperazinylmethyl)-.

Physical properties about 1-(4-Cyanobenzyl)piperazine are: (1)ACD/LogP: 0.79; (2)ACD/LogD (pH 5.5): -2.17; (3)ACD/LogD (pH 7.4): -0.84; (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): 1.5; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 30.27 Å2; (12)Index of Refraction: 1.59; (13)Molar Refractivity: 59.96 cm3; (14)Molar Volume: 177.5 cm3; (15)Polarizability: 23.77×10-24cm3; (16)Surface Tension: 51.9 dyne/cm; (17)Density: 1.13 g/cm3; (18)Flash Point: 164.8 °C; (19)Enthalpy of Vaporization: 59.33 kJ/mol; (20)Boiling Point: 348.9 °C at 760 mmHg; (21)Vapour Pressure: 4.87E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccc(cc1)CN2CCNCC2
(2)InChI: InChI=1/C12H15N3/c13-9-11-1-3-12(4-2-11)10-15-7-5-14-6-8-15/h1-4,14H,5-8,10H2
(3)InChIKey: RPOOHOJBILYQET-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C12H15N3/c13-9-11-1-3-12(4-2-11)10-15-7-5-14-6-8-15/h1-4,14H,5-8,10H2
(5)Std. InChIKey: RPOOHOJBILYQET-UHFFFAOYSA-N

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