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24622-32-0

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Basic Information
CAS No.: 24622-32-0
Name: 2-Benzothiazolamine,N-(2-methylpropyl)-(9CI)
Article Data: 9
Molecular Structure:
Molecular Structure of 24622-32-0 (2-Benzothiazolamine,N-(2-methylpropyl)-(9CI))
Formula: C11H14N2S
Molecular Weight: 206.312
Synonyms: Benzothiazole, 2-(isobutylamino)-(8CI);N-(2-Methylpropyl)-1,3-benzothiazol-2-amine;N-Isobutyl-1,3-benzothiazol-2-amine;
Density: 1.174 g/cm3
Boiling Point: 306.9 °C at 760 mmHg
Flash Point: 139.4 °C
PSA: 56.39000
LogP: 2.78610
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Specification

The 2-Benzothiazolamine,N-(2-methylpropyl)-, with the CAS registry number 24622-32-0, is also known as N-Isobutyl-1,3-benzothiazol-2-amine. It belongs to the product category of Benzothiazole. This chemical's molecular formula is C11H14N2S and molecular weight is 206.31. What's more, its systematic name is N-(2-methylpropyl)-1,3-benzothiazol-2-amine. 

Physical properties of 2-Benzothiazolamine,N-(2-methylpropyl)- are: (1)ACD/LogP: 3.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.61; (4)ACD/LogD (pH 7.4): 3.64; (5)ACD/BCF (pH 5.5): 319.56; (6)ACD/BCF (pH 7.4): 341.84; (7)ACD/KOC (pH 5.5): 2118.05; (8)ACD/KOC (pH 7.4): 2265.72; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 44.37 Å2; (13)Index of Refraction: 1.649; (14)Molar Refractivity: 64.03 cm3; (15)Molar Volume: 175.6 cm3; (16)Polarizability: 25.38×10-24cm3; (17)Surface Tension: 48.7 dyne/cm; (18)Density: 1.174 g/cm3; (19)Flash Point: 139.4 °C; (20)Enthalpy of Vaporization: 54.75 kJ/mol; (21)Boiling Point: 306.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000748 mmHg at 25°C.

Preparation of 2-Benzothiazolamine,N-(2-methylpropyl)-: this chemical can be prepared by N-benzothiazol-2-yl-isobutyramide by heating. This reaction will need reagent LiAlH4 and solvent tetrahydrofuran with the reaction time of 4 hours. The yield is about 76%.

2-Benzothiazolamine,N-(2-methylpropyl)- can be prepared by N-benzothiazol-2-yl-isobutyramide by heating

Uses of 2-Benzothiazolamine,N-(2-methylpropyl)-: it can be used to produce C14H14N2O2S at the temperature of 160 °C. The reaction time is 2 min. The yield is about 49%.

2-Benzothiazolamine,N-(2-methylpropyl)- can be used to produce C14H14N2O2S at the temperature of 160 °C

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)CNC1=NC2=CC=CC=C2S1
(2)InChI: InChI=1S/C11H14N2S/c1-8(2)7-12-11-13-9-5-3-4-6-10(9)14-11/h3-6,8H,7H2,1-2H3,(H,12,13)
(3)InChIKey: SMGKWHWIOTWYOI-UHFFFAOYSA-N