Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzonitrile, 4-[(4-methyl-1-piperazinyl)methyl]- |
EINECS | N/A |
CAS No. | 125743-63-7 | Density | 1.11 g/cm3 |
PSA | 30.27000 | LogP | 1.18148 |
Solubility | N/A | Melting Point |
69 °C |
Formula | C13H17N3 | Boiling Point | 342.5 °C at 760 mmHg |
Molecular Weight | 215.298 | Flash Point | 144.5 °C |
Transport Information | N/A | Appearance | White solid |
Safety | 23-26-36/37/39-45 | Risk Codes |
C:Corrosive; |
Molecular Structure | Hazard Symbols | C | |
Synonyms |
4-[(4-Methyl-1-piperazinyl)methyl]benzonitrile; |
Article Data | 19 |
The Benzonitrile, 4-[(4-methyl-1-piperazinyl)methyl]-, with the CAS registry number 125743-63-7, has the systematic name of 4-[(4-methylpiperazin-1-yl)methyl]benzonitrile. It is a kind of corrosive chemical, and the molecular formula of the chemical is C13H17N3.
The characteristics of Benzonitrile, 4-[(4-methyl-1-piperazinyl)methyl]- are as followings: (1)ACD/LogP: 0.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.89; (4)ACD/LogD (pH 7.4): -0.2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 10.41; (9)#H bond acceptors: 3 ; (10) #H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 30.27 Å2; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 64.82 cm3; (15)Molar Volume: 192.7 cm3; (16)Polarizability: 25.69×10-24cm3; (17)Surface Tension: 50.8 dyne/cm; (18)Density: 1.11 g/cm3; (19)Flash Point: 144.5 °C; (20)Enthalpy of Vaporization: 58.63 kJ/mol; (21)Boiling Point: 342.5 °C at 760 mmHg; (22)Vapour Pressure: 7.48E-05 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: N#Cc1ccc(cc1)CN2CCN(CC2)C
(2)InChI: InChI=1/C13H17N3/c1-15-6-8-16(9-7-15)11-13-4-2-12(10-14)3-5-13/h2-5H,6-9,11H2,1H3
(3)InChIKey: IVSYNRMJMLDSIB-UHFFFAOYAU