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446831-27-2

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Basic Information
CAS No.: 446831-27-2
Name: 1-(2-CARBOXYPHENYL)-PIPERAZINE
Molecular Structure:
Molecular Structure of 446831-27-2 (1-(2-CARBOXYPHENYL)-PIPERAZINE)
Formula: C11H14N2O2
Molecular Weight: 206.244
Synonyms: 2-(Piperazin-1-yl)benzoicacid;
Density: 1.211 g/cm3
Boiling Point: 399.2 °C at 760 mmHg
Flash Point: 195.2 °C
PSA: 52.57000
LogP: 1.18820
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Specification

The Benzoicacid, 2-(1-piperazinyl)-, with the CAS registry number 446831-27-2, is also known as 1-(2-carboxyphenyl) piperazine. This chemical's molecular formula is C11H14N2O2 and molecular weight is 206.105528. Its IUPAC name is called 2-piperazin-1-ylbenzoic acid.

Physical properties of Benzoicacid, 2-(1-piperazinyl)-: (1)ACD/LogP: 0.79; (2)ACD/LogD (pH 5.5): -1.72; (3)ACD/LogD (pH 7.4): -1.73; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.58; (12)Molar Refractivity: 56.73 cm3; (13)Molar Volume: 170.2 cm3; (14)Surface Tension: 48.5 dyne/cm; (15)Density: 1.211 g/cm3; (16)Flash Point: 195.2 °C; (17)Enthalpy of Vaporization: 68.54 kJ/mol; (18)Boiling Point: 399.2 °C at 760 mmHg; (19)Vapour Pressure: 4.33E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CN(CCN1)C2=CC=CC=C2C(=O)O
(2)InChI: InChI=1S/C11H14N2O2/c14-11(15)9-3-1-2-4-10(9)13-7-5-12-6-8-13/h1-4,12H,5-8H2,(H,14,15)
(3)InChIKey: ZYLZQIMSYNAILC-UHFFFAOYSA-N