Molecular Structure of 2-Amino-6-tert-butylbenzothiazole (CAS No.131395-10-3):
Molecular Formula: C11H14N2S
Molecular Weight: 206.3073
CAS No: 131395-10-3
H bond acceptors: 2
H bond donors: 2
Freely Rotating Bonds: 1
Polar Surface Area: 67.15 Å2
Index of Refraction: 1.641
Molar Refractivity: 63.194 cm3
Molar Volume: 175.22 cm3
Surface Tension: 48.451 dyne/cm
Density: 1.177 g/cm3
Flash Point: 158.152 °C
Enthalpy of Vaporization: 58.119 kJ/mol
Boiling Point: 337.892 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
InChI: InChI=1/C11H14N2S/c1-11(2,3)7-4-5-8-9(6-7)14-10(12)13-8/h4-6H,1-3H3,(H2,12,13)
InChIKey: HWJMDJWCGKTWQG-UHFFFAOYAY
Std. InChI: InChI=1S/C11H14N2S/c1-11(2,3)7-4-5-8-9(6-7)14-10(12)13-8/h4-6H,1-3H3,(H2,12,13)
Std. InChIKey: HWJMDJWCGKTWQG-UHFFFAOYSA-N
Systematic Name: 6-Tert-butyl-1,3-benzothiazol-2-amine
2-Amino-6-tert-butylbenzothiazole (CAS No.131395-10-3), its synonyms are 2-benzothiazolamine, 6-(1,1-dimethylethyl)- ; 6-Tert-Butyl-1,3-benzothiazol-2-amine ; 6-Tert-Butyl-benzothiazol-2-ylamine .
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