Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzonitrile,2-(1-piperazinylmethyl)- |
EINECS | N/A |
CAS No. | 174609-74-6 | Density | 1.133 g/cm3 |
PSA | 39.06000 | LogP | 1.23018 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H15N3 | Boiling Point | 334.23 °C at 760 mmHg |
Molecular Weight | 201.271 | Flash Point | 155.937 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes |
Xi:Irritant; |
|
Molecular Structure | Hazard Symbols | Xi | |
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 |
Article Data | 2 |
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