2-Piperazino-1,3-benzoxazole supplier

Name
2-PIPERAZIN-1-YL-BENZOOXAZOLE
EINECS
CAS No. 111628-39-8
Article Data27
CAS DataBase
Density 1.21 g/cm³
Solubility
Melting Point 68-70 °C
Formula C₁₁H₁₃N₃O
Boiling Point 345.1 °C at 760 mmHg
Molecular Weight 203.244
Flash Point 162.5 °C
Transport Information
Appearance
Safety Hazard Codes Xi
Risk Codes Xi:;
Molecular Structure
Hazard Symbols
Synonyms 1-(2-Benzoxazolyl)piperazine;2-(1-Piperazinyl)benzoxazole;2-Piperazinobenzoxazole;Benzoxazole, 2-(1-piperazinyl)-;
PSA 41.30000
LogP 1.63120

2-Piperazino-1,3-benzoxazole Specification

The 2-Piperazino-1,3-benzoxazole, with the CAS registry number 111628-39-8, has its systematic name of 2-(piperazin-1-yl)-1,3-benzoxazole, and it is also called Benzoxazole, 2-(1-piperazinyl)-. The molecular formula of the chemical is C₁₁H₁₃N₃O.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.34; (4)ACD/LogD (pH 7.4): 1.3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 4.84; (7)ACD/KOC (pH 5.5): 2.05; (8)ACD/KOC (pH 7.4): 88.37; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 32.51 Å²; (13)Index of Refraction: 1.607; (14)Molar Refractivity: 58.03 cm³; (15)Molar Volume: 167.8 cm³; (16)Polarizability: 23×10^-24cm³; (17)Surface Tension: 49.2 dyne/cm; (18)Density: 1.21 g/cm³; (19)Flash Point: 162.5 °C; (20)Enthalpy of Vaporization: 58.92 kJ/mol; (21)Boiling Point: 345.1 °C at 760 mmHg; (22)Vapour Pressure: 6.29E-05 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: n1c3ccccc3oc1N2CCNCC2
(2)InChI: InChI=1/C11H13N3O/c1-2-4-10-9(3-1)13-11(15-10)14-7-5-12-6-8-14/h1-4,12H,5-8H2
(3)InChIKey: HLKHIJZYKGDCJM-UHFFFAOYAC

Product Name

2-PIPERAZIN-1-YL-BENZOOXAZOLE

2-Piperazino-1,3-benzoxazole Specification

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