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CAS No.: | 90916-45-3 |
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Name: | C-(4-PHENYL-THIAZOL-2-YL)-METHYLAMINE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C10H10N2S |
Molecular Weight: | 190.269 |
Synonyms: | Thiazole,2-(aminomethyl)-4-phenyl- (7CI);[(4-Phenyl-1,3-thiazol-2-yl)methyl]amine; |
EINECS: | 604-604-1 |
Density: | 1.208 g/cm3 |
Boiling Point: | 335.1 °C at 760 mmHg |
Flash Point: | 156.5 °C |
PSA: | 67.15000 |
LogP: | 2.96910 |
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This chemical is called 2-Thiazolemethanamine, 4-phenyl-, and its systematic name is 1-(4-phenyl-1,3-thiazol-2-yl)methanamine. With the molecular formula of C10H10N2S, its molecular weight is 190.26. The CAS registry number of this chemical is 90916-45-3.
Other characteristics of the 2-Thiazolemethanamine, 4-phenyl- can be summarised as followings: (1)ACD/LogP: 2.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.38; (4)ACD/LogD (pH 7.4): 1.88; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 14; (7)ACD/KOC (pH 5.5): 6.13; (8)ACD/KOC (pH 7.4): 197.5; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 44.37 Å2; (13)Index of Refraction: 1.626; (14)Molar Refractivity: 55.77 cm3; (15)Molar Volume: 157.4 cm3; (16)Polarizability: 22.1×10-24cm3; (17)Surface Tension: 52.5 dyne/cm; (18)Density: 1.208 g/cm3; (19)Flash Point: 156.5 °C; (20)Enthalpy of Vaporization: 57.81 kJ/mol; (21)Boiling Point: 335.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000123 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: n2c(c1ccccc1)csc2CN
2.InChI: InChI=1/C10H10N2S/c11-6-10-12-9(7-13-10)8-4-2-1-3-5-8/h1-5,7H,6,11H2
3.InChIKey: AFSCUDNEJWEMEA-UHFFFAOYAB