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CAS No.: | 596818-05-2 |
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Name: | 1-(2-Thiazolyl)-4-piperidinamine |
Molecular Structure: | |
Formula: | C8H13N3S |
Molecular Weight: | 183.277 |
Synonyms: | 1-(2-Thiazolyl)-4-piperidinamine; |
Density: | 1.205 g/cm3 |
Boiling Point: | 308.2 °C at 760 mmHg |
Flash Point: | 140.2 °C |
PSA: | 70.39000 |
LogP: | 1.83590 |
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The systematic name of 1-(2-Thiazolyl)-4-piperidinamine is 1-thiazol-2-ylpiperidin-4-amine. With the CAS registry number 596818-05-2, it is also named as 4-Piperidinamine,1-(2-thiazolyl)-. The product's category is Piperidine. In addition, its molecular formula is C8H13N3S and molecular weight is 183.27.
The other characteristics of 1-(2-Thiazolyl)-4-piperidinamine can be summarized as: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 3; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 70.39 Å2; (6)Index of Refraction: 1.587; (7)Molar Refractivity: 51.09 cm3; (8)Molar Volume: 151.9 cm3; (9)Polarizability: 20.25×10-24cm3; (10)Surface Tension: 52.4 dyne/cm; (11)Density: 1.205 g/cm3; (12)Flash Point: 140.2 °C; (13)Enthalpy of Vaporization: 54.89 kJ/mol; (14)Boiling Point: 308.2 °C at 760 mmHg; (15)Vapour Pressure: 0.000689 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: c1csc(n1)N2CCC(CC2)N
(2)InChI: InChI=1/C8H13N3S/c9-7-1-4-11(5-2-7)8-10-3-6-12-8/h3,6-7H,1-2,4-5,9H2
(3)InChIKey: SQWHSDXOVVYPSX-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C8H13N3S/c9-7-1-4-11(5-2-7)8-10-3-6-12-8/h3,6-7H,1-2,4-5,9H2
(5)Std. InChIKey: SQWHSDXOVVYPSX-UHFFFAOYSA-N