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174609-74-6

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Basic Information
CAS No.: 174609-74-6
Name: 1-(2-CYANOBENZYL)PIPERAZINE
Article Data: 2
Molecular Structure:
Molecular Structure of 174609-74-6 (1-(2-CYANOBENZYL)PIPERAZINE)
Formula: C12H15N3
Molecular Weight: 201.271
Synonyms: 1-(2-CYANOBENZYL)PIPERAZINE;2-(PIPERAZIN-1-YLMETHYL)BENZONITRILE;2-(Piperazin-1-ylmethyl)benzonitrile 97%;1-(2-Cyanobenzyl)piperazine, 1-[(2-Cyanophenyl)methyl]piperazine
Density: 1.133 g/cm3
Boiling Point: 334.23 °C at 760 mmHg
Flash Point: 155.937 °C
Hazard Symbols: IrritantXi
Risk Codes:  Xi:Irritant;
">  Xi:Irritant;
PSA: 39.06000
LogP: 1.23018
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Specification

The Benzonitrile,2-(1-piperazinylmethyl)- is an oqganic compound with the molecular formula C12H15N3. Its CAS registry number is 174609-74-6. Its IUPAC name is 2-(Piperazin-1-ylmethyl)benzonitrile. What's more, the molecular weight of this chemical is 201.27. This chemical is irritanting and may cause inflammation to the skin or other mucous membranes.

Physical properties about Benzonitrile,2-(1-piperazinylmethyl)- are: (1)ACD/LogP: 0.72; (2)#of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 2; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 39.06 Å2; (11)Index of Refraction: 1.59; (12)Molar Refractivity: 59.961 cm3; (13)Molar Volume: 177.59 cm3; (14)Polarizability: 23.77×10-24 cm3; (15)Surface Tension: 51.918 dyne/cm; (16)Density: 1.133 g/cm3; (17)Flash Point: 155.937 °C; (18)Enthalpy of Vaporization: 57.717 kJ/mol; (19)Boiling Point: 334.23 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc2ccccc2CN1CCNCC1
(2) InChI: InChI=1/C12H15N3/c13-9-11-3-1-2-4-12(11)10-15-7-5-14-6-8-15/h1-4,14H,5-8,10H2
(3) InChIKey: DVUNFWADPIWIAY-UHFFFAOYAV