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| CAS No.: | 2104-04-3 |
|---|---|
| Name: | 4-(4-Methoxyphenyl)-1,3-thiazol-2-amine |
| Molecular Structure: | |
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| Formula: | C10H10N2OS |
| Molecular Weight: | 206.268 |
| Synonyms: | Thiazole,2-amino-4-(p-methoxyphenyl)- (6CI,7CI,8CI);2-Amino-4-(4-methoxyphenyl)thiazole;2-Amino-4-(p-anisyl)thiazole;2-Amino-4-(p-methoxyphenyl)thiazole;4-(4-Methoxyphenyl)-1,3-thiazol-2-amine;4-(4-Methoxyphenyl)-2-thiazolamine;4-(4-Methoxyphenyl)thiazol-2-ylamine; |
| Density: | 1.259 g/cm3 |
| Melting Point: | 204-208 °C |
| Boiling Point: | 396.7 °C at 760 mmHg |
| Flash Point: | 193.7 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 22 |
| PSA: | 76.38000 |
| LogP: | 2.98210 |
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Specification
The 4-(4-Methoxyphenyl)-1,3-thiazol-2-amine, with the CAS registry number 2104-04-3, is also called 2-Amino-4-(p-methoxyphenyl)thiazole. The molecular formula of the chemical is C10H10N2OS. It is a kind of irritant chemical, so you'd better be cautious while dealing with it.
The characteristics of this chemical are as followings: (1)ACD/LogP: 1.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.54; (4)ACD/LogD (pH 7.4): 1.94; (5)ACD/BCF (pH 5.5): 6.88; (6)ACD/BCF (pH 7.4): 17.59; (7)ACD/KOC (pH 5.5): 105.42; (8)ACD/KOC (pH 7.4): 269.5; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 53.6 Å2; (13)Index of Refraction: 1.629; (14)Molar Refractivity: 58.23 cm3; (15)Molar Volume: 163.7 cm3; (16)Polarizability: 23.08×10-24cm3; (17)Surface Tension: 52.3 dyne/cm; (18)Density: 1.259 g/cm3; (19)Flash Point: 193.7 °C; (20)Enthalpy of Vaporization: 64.71 kJ/mol; (21)Boiling Point: 396.7 °C at 760 mmHg; (22)Vapour Pressure: 1.67E-06 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: n2c(c1ccc(OC)cc1)csc2N
(2)InChI: InChI=1/C10H10N2OS/c1-13-8-4-2-7(3-5-8)9-6-14-10(11)12-9/h2-6H,1H3,(H2,11,12)
(3)InChIKey: YPVVEXKDPBRGIK-UHFFFAOYAV