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CAS: 183288-46-2

Name:
1-(2-Aminocarbonylbenzofuran-5-yl)piperazine
Cas No.:
183288-46-2
Molecular Structure:
Molecular Structure of 183288-46-2 (1-(2-Aminocarbonylbenzofuran-5-yl)piperazine)
EINECS(EC#):
Molecular Formula:
C13H15N3O2
Molecular Weight:
245.28
Synonyms:
5-(1-Piperazinyl)benzofuran-2-carboxamide;5-Piperazin-1-yl-1-benzofuran-2-carboxamide;
Chemical
Appearance:
 
mp :
 
bp :
505.319 °C at 760 mmHg
Flash Point:
259.408 °C
Density:
1.269 g/cm3
Water Solubility :
 
Safety Data

Risk Codes:

Safety:

RTECS :

DG0875000

Specification

The 2-Benzofurancarboxamide, 5-(1-piperazinyl)-, with the CAS registry number 183288-46-2, is also known as 5-(1-Piperazinyl)benzofuran-2-carboxamide. This chemical's molecular formula is C13H15N3O2 and molecular weight is 245.28. What's more, its systematic name is 5-piperazin-1-yl-1-benzofuran-2-carboxamide.

Physical properties of 2-Benzofurancarboxamide, 5-(1-piperazinyl)- are: (1)ACD/LogP: -0.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 2; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 71.5 Å2; (13)Index of Refraction: 1.631; (14)Molar Refractivity: 68.878 cm3; (15)Molar Volume: 193.346 cm3; (16)Polarizability: 27.305×10-24cm3; (17)Surface Tension: 53.254 dyne/cm; (18)Density: 1.269 g/cm3; (19)Flash Point: 259.408 °C; (20)Enthalpy of Vaporization: 77.497 kJ/mol; (21)Boiling Point: 505.319 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c2oc1ccc(cc1c2)N3CCNCC3)N
(2)Std. InChI: InChI=1S/C13H15N3O2/c14-13(17)12-8-9-7-10(1-2-11(9)18-12)16-5-3-15-4-6-16/h1-2,7-8,15H,3-6H2,(H2,14,17)
(3)Std. InChIKey: LLRGOAFFRRUFBM-UHFFFAOYSA-N

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