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Home> Hot Product Listed N   > N-(4-Cyanophenyl)guanidine
88382-13-2 structure

N-(4-Cyanophenyl)guanidine

CAS No.:88382-13-2
Molecular Weight:99.13
Molecular Formula:C6H3NO2S (isomer)
Properties
Density
1.42
Flash Point
172.5°C
Safety and Handling
Specification

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.

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Recommended Suppliers
  • Tel:888-329-8990
  • Fax:609 434 0143
  • Tel:1-631-5046093
  • Fax:1-631-6147828
  • Tel:+86-(21)-36030322
  • Fax:+86-(21)-66315383
  • Tel:888-329-8990
  • Fax:609 434 0143
 
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