CAS No.660837-08-1,4-Methyl-n3-(4-pyridin-3-yl-thiazol-2-yl)-benzene-1,3-diaMine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	660837-08-1
Name:	4-Methyl-n3-(4-pyridin-3-yl-thiazol-2-yl)-benzene-1,3-diaMine
Article Data:	5

Formula:	C₁₅H₁₄N₄S
Molecular Weight:	282.369
Synonyms:	MASIT-007;2-(2-Methyl-5-aminophenylamino)-4-(3-pyridyl)thiazole;6-Methyl-N1-[4-(3-pyridyl)-2-thiazolyl]-1,3-benzenediamine;4-Methyl-N3-[4-(3-pyridinyl)-2-thiazolyl]-1,3-benzenediamine;6-methyl-N1-(5-(pyridin-3-yl)thiazol-2-yl)benzene-1,3-diamine;4-Methyl-n3-(4-pyridin-3-yl-thiazol-2-yl)-benzene-1,3-diaMine;1,3-Benzenediamine, 4-methyl-N3-[4-(3-pyridinyl)-2-thiazolyl]-
Density:	1.312 g/cm³
Boiling Point:	509.391 °C at 760 mmHg
Flash Point:	261.87 °C
PSA:	95.30000
LogP:	3.84240

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Specification

The 4-Methyl-N3-[4-(3-pyridyl)thiazol-2-yl]benzene-1,3-diamine, with the CAS registry number 660837-08-1, is also known as 3-Ethyltricyclo[3.3.1.13,7]decan-1-amine hydrochloride. This chemical's molecular formula is C₁₅H₁₄N₄S and molecular weight is 282.36. What's more, its systematic name is 4-Methyl-N3-[4-(3-pyridyl)thiazol-2-yl]benzene-1,3-diamine.

Physical properties of 4-Methyl-N3-[4-(3-pyridyl)thiazol-2-yl]benzene-1,3-diamine are: (1)ACD/LogP: 1.328; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.27; (4)ACD/LogD (pH 7.4): 1.33; (5)ACD/BCF (pH 5.5): 5.26; (6)ACD/BCF (pH 7.4): 6.01; (7)ACD/KOC (pH 5.5): 109.87; (8)ACD/KOC (pH 7.4): 125.54; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 92.07 Å²; (13)Index of Refraction: 1.707; (14)Molar Refractivity: 83.847 cm³; (15)Molar Volume: 215.241 cm³; (16)Polarizability: 33.24×10^-24cm³; (17)Surface Tension: 64.048 dyne/cm; (18)Density: 1.312 g/cm³; (19)Flash Point: 261.87 °C; (20)Enthalpy of Vaporization: 77.992 kJ/mol; (21)Boiling Point: 509.391 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)N
(2)Std. InChI: InChI=1S/C15H14N4S/c1-10-4-5-12(16)7-13(10)18-15-19-14(9-20-15)11-3-2-6-17-8-11/h2-9H,16H2,1H3,(H,18,19)
(3)Std. InChIKey: JKQOCRHWVAAVFB-UHFFFAOYSA-N