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CAS No.: | 4406-27-3 |
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Name: | N-(2-CHLORO-BENZYL)-GUANIDINE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C21H22O5S |
Molecular Weight: | 183.64 |
Synonyms: | Guanidine,(o-chlorobenzyl)- (7CI,8CI);Guanidine, [(2-chlorophenyl)methyl]- (9CI);(2-Chlorobenzyl)guanidine;(o-Chlorobenzyl)guanidine; |
Density: | 1.28 g/cm3 |
Boiling Point: | 544.4 °C at 760 mmHg |
Flash Point: | 283.1 °C |
PSA: | 61.90000 |
LogP: | 2.51400 |
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The Guanidine,N-[(2-chlorophenyl)methyl]-, with the CAS registry number 4406-27-3, is also known as 2H-Pyran-2-one, 5,6-dihydro-3,5,5-trimethyl-4-[[(4-methylphenyl)sulfonyl]oxy]-6-phenyl-. This chemical's molecular formula is C21H22O5S and molecular weight is 386.118795. Its systematic name is called 3,3,5-trimethyl-6-oxo-2-phenyl-3,6-dihydro-2H-pyran-4-yl 4-methylbenzenesulfonate.
Physical properties of Guanidine,N-[(2-chlorophenyl)methyl]-: (1)ACD/LogP: 4.81; (2)#H bond acceptors: 5; (3)#Freely Rotating Bonds: 4; (4)Index of Refraction: 1.6; (5)Molar Refractivity: 102.94 cm3; (6)Molar Volume: 300.5 cm3; (7)Surface Tension: 51.9 dyne/cm; (8)Density: 1.28 g/cm3; (9)Flash Point: 283.1 °C; (10)Enthalpy of Vaporization: 82.3 kJ/mol; (11)Boiling Point: 544.4 °C at 760 mmHg; (12)Vapour Pressure: 6.53E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O\C2=C(\C(=O)OC(c1ccccc1)C2(C)C)C)c3ccc(cc3)C
(2)InChI: InChI=1/C21H22O5S/c1-14-10-12-17(13-11-14)27(23,24)26-18-15(2)20(22)25-19(21(18,3)4)16-8-6-5-7-9-16/h5-13,19H,1-4H3
(3)InChIKey: NTTVAJUQHSLXOQ-UHFFFAOYAH