Name: 3-PIPERAZIN-1-YL-1,2-BENZISOXAZOLE
SKU: 87691-89-2

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Basic Information

Molecular Structure:
CAS No.:	87691-89-2
Name:	3-PIPERAZIN-1-YL-1,2-BENZISOXAZOLE
Article Data:	6

Formula:	C₁₁H₁₃N₃O
Molecular Weight:	203.244
Synonyms:	1-(Benzisoxazol-3-yl)piperazine;3-(1-Piperazinyl)-1,2-benzisoxazole;3-(Piperazin-1-yl)benzo[d]isoxazole;3-Piperazino-1,2-benzisoxazole;
Density:	1.211 g/cm³
Melting Point:	74-76℃
Boiling Point:	387.818 °C at 760 mmHg
Flash Point:	188.346 °C
PSA:	41.30000
LogP:	1.63120

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Specification

The 3-(1-Piperazino)-1,2-benzisoxazole is an organic compound with the formula C₁₁H₁₃N₃O. The systematic name of this chemical is 3-(piperazin-1-yl)-1,2-benzoxazole. With the CAS registry number 87691-89-2, it is also named as 1,2-benzisoxazole, 3-(1-piperazinyl)-. Besides, it should be stored in a closed cool and dry place.

You can still convert the following datas into molecular structure: (1)ACD/LogP: 1.86 ; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 13; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 41.3 Å²; (10)Index of Refraction: 1.608; (11)Molar Refractivity: 58.039 cm³; (12)Molar Volume: 167.868 cm³; (13)Polarizability: 23.009×10^-24cm³; (14)Surface Tension: 49.231 dyne/cm; (15)Density: 1.211 g/cm³; (16)Flash Point: 188.346 °C; (17)Enthalpy of Vaporization: 63.694 kJ/mol; (18)Boiling Point: 387.818 °C at 760 mmHg.

Physical properties about 3-(1-Piperazino)-1,2-benzisoxazole are:
(1)SMILES: c1cccc2onc(c12)N3CCNCC3
(2)InChI: InChI=1/C11H13N3O/c1-2-4-10-9(3-1)11(13-15-10)14-7-5-12-6-8-14/h1-4,12H,5-8H2
(3)InChIKey: ZDFQBFVFCPABKQ-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C11H13N3O/c1-2-4-10-9(3-1)11(13-15-10)14-7-5-12-6-8-14/h1-4,12H,5-8H2
(5)Std. InChIKey: ZDFQBFVFCPABKQ-UHFFFAOYSA-N