Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
N-(4-Cyanophenyl)guanidine |
EINECS | N/A |
CAS No. | 5637-42-3 | Density | 1.25 g/cm3 |
PSA | 85.69000 | LogP | 1.73668 |
Solubility | N/A | Melting Point |
155-162°C |
Formula | C8H8N4 | Boiling Point | 316.6 °C at 760 mmHg |
Molecular Weight | 160.178 | Flash Point | 145.3 °C |
Transport Information | N/A | Appearance | White solid |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
N-(4-Cyanophenyl)guanidine |
Article Data | 5 |
The N-(4-Cyanophenyl)guanidine with cas registry number of 5637-42-3, whose systematic name is 1-(4-cyanophenyl)guanidine. And it is also named Guanidine, N-(4-cyanophenyl)-; N-(4-Cyanophenyl)guanidine.
Physical properties about this chemical are: (1)ACD/LogP: 0.20; (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): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 85.69 Å2; (11)Index of Refraction: 1.633; (12)Molar Refractivity: 45.66 cm3; (13)Molar Volume: 127.8 cm3; (14)Polarizability: 18.1×10-24cm3; (15)Surface Tension: 56 dyne/cm; (16)Enthalpy of Vaporization: 55.79 kJ/mol; (17)Vapour Pressure: 0.000406 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:N=C(N)Nc1ccc(cc1)C#N;
(2)InChI:InChI=1/C8H8N4/c9-5-6-1-3-7(4-2-6)12-8(10)11/h1-4H,(H4,10,11,12);
(3)InChIKey:BTDGLZSKNFJBER-UHFFFAOYAX;
(4)Std. InChI:InChI=1S/C8H8N4/c9-5-6-1-3-7(4-2-6)12-8(10)11/h1-4H,(H4,10,11,12);
(5)Std. InChIKey:BTDGLZSKNFJBER-UHFFFAOYSA-N.