Benzoicacid, 2-(1-piperazinylcarbonyl)- supplier

Name
2-(PIPERAZINE-1-CARBONYL)-BENZOIC ACID
EINECS
CAS No. 37618-28-3
Density 1.279 g/cm³
Solubility
Melting Point >245 °C
Formula C₁₂H₁₄N₂O₃
Boiling Point 464.6 °C at 760 mmHg
Molecular Weight 234.255
Flash Point 234.8 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xi
Synonyms o-(1-Piperazinylcarbonyl)benzoic acid;2-(Piperazin-1-ylcarbonyl)benzoic acid;1-Phtaloylpiperazine;1-Phthaloyl-piperazine;
PSA 69.64000
LogP 0.69690

Benzoicacid, 2-(1-piperazinylcarbonyl)- Specification

The Benzoicacid, 2-(1-piperazinylcarbonyl)-, with the CAS registry number 37618-28-3, is also known as 1-Phthaloyl-piperazine. This chemical's molecular formula is C₁₂H₁₄N₂O₃ and molecular weight is 234.25. What's more, its systematic name is 2-(Piperazin-1-ylcarbonyl)benzoic acid and it belongs to the product category of Piperazines.

Physical properties of Benzoicacid, 2-(1-piperazinylcarbonyl)- are: (1)ACD/LogP: -1.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.5; (4)ACD/LogD (pH 7.4): -3.75; (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): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 49.85 Å²; (13)Index of Refraction: 1.591; (14)Molar Refractivity: 61.93 cm³; (15)Molar Volume: 183 cm³; (16)Polarizability: 24.55×10^-24cm³; (17)Surface Tension: 53.2 dyne/cm; (18)Density: 1.279 g/cm³; (19)Flash Point: 234.8 °C; (20)Enthalpy of Vaporization: 76.5 kJ/mol; (21)Boiling Point: 464.6 °C at 760 mmHg; (22)Vapour Pressure: 1.97E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CN(CCN1)C(=O)C2=CC=CC=C2C(=O)O
(2)InChI: InChI=1S/C12H14N2O3/c15-11(14-7-5-13-6-8-14)9-3-1-2-4-10(9)12(16)17/h1-4,13H,5-8H2,(H,16,17)
(3)InChIKey: FZYJHCSEASCMOO-UHFFFAOYSA-N

Product Name

2-(PIPERAZINE-1-CARBONYL)-BENZOIC ACID

Benzoicacid, 2-(1-piperazinylcarbonyl)- Specification

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