Benzonitrile, 3-(1-piperazinyl)- supplier

Name
Benzonitrile, 3-(1-piperazinyl)- (9CI)
EINECS
CAS No. 178928-58-0
Article Data15
CAS DataBase
Density 1.16 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₃N₃
Boiling Point 364.7 °C at 760 mmHg
Molecular Weight 187.244
Flash Point 174.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(3-Cyanophenyl)piperazine;1-(3-Cyanophenyl)piperiazine;3-(Piperazin-1-yl)benzonitrile;
PSA 39.06000
LogP 1.36168

Benzonitrile, 3-(1-piperazinyl)- Specification

This chemical is called Benzonitrile, 3-(1-piperazinyl)-, and its systematic name is 3-piperazin-1-ylbenzonitrile. With the molecular formula of C₁₁H₁₃N₃, its molecular weight is 187.24. The CAS registry number of this chemical is 178928-58-0. Additionally, its product categories are Piperidine; Pharmacetical.

Other characteristics of the Benzonitrile, 3-(1-piperazinyl)- can be summarised as followings: (1)ACD/LogP: 0.57; (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): 5.09; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 30.27 Å²; (11)Index of Refraction: 1.602; (12)Molar Refractivity: 55.33 cm³; (13)Molar Volume: 161.2 cm³; (14)Polarizability: 21.93×10^-24cm³; (15)Surface Tension: 53.8 dyne/cm; (16)Density: 1.16 g/cm³; (17)Flash Point: 174.3 °C; (18)Enthalpy of Vaporization: 61.09 kJ/mol; (19)Boiling Point: 364.7 °C at 760 mmHg; (20)Vapour Pressure: 1.66E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: N#Cc1cc(ccc1)N2CCNCC2
2.InChI: InChI=1/C11H13N3/c12-9-10-2-1-3-11(8-10)14-6-4-13-5-7-14/h1-3,8,13H,4-7H2
3.InChIKey: LJUHEEFEADORHV-UHFFFAOYAF

Product Name

Benzonitrile, 3-(1-piperazinyl)- (9CI)

Benzonitrile, 3-(1-piperazinyl)- Specification

Related Products

Hot Products