Methyl 3-piperazin-1-ylbenzoate supplier

Name
Methyl 3-(1-piperazinyl)benzoate
EINECS
CAS No. 179003-08-8
Article Data6
CAS DataBase
Density 1126 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₆N₂O₂
Boiling Point 377.046 °C at 760 mmHg
Molecular Weight 220.271
Flash Point 181.831 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl 3-(1-piperazinyl)benzoate;Benzoic acid, 3-(1-piperazinyl)-, Methyl ester
PSA 41.57000
LogP 1.27660

Methyl 3-piperazin-1-ylbenzoate Specification

The Benzoic acid,3-(1-piperazinyl)-, methyl ester, also known as SBB068125, is a organic compound with the formula C₁₂H₁₆N₂O₂. With the CAS registry number 179003-08-8, its IUPAC name is called methyl 3-piperazin-1-ylbenzoate.

Physical properties of Benzoic acid,3-(1-piperazinyl)-, methyl ester: (1)ACD/LogP: 0.68; (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): 9; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 3; (9)Index of Refraction: 1.542; (10)Molar Refractivity: 61.579 cm³; (11)Molar Volume: 195.627 cm³; (12)Surface Tension: 40.281 dyne/cm; (13)Density: 1.126 g/cm³; (14)Flash Point: 181.831 °C; (15)Enthalpy of Vaporization: 62.476 kJ/mol; (16)Boiling Point: 377.046 °C at 760 mmHg; (17)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c1cc(ccc1)N2CCNCC2
(2)InChI: InChI=1/C12H16N2O2/c1-16-12(15)10-3-2-4-11(9-10)14-7-5-13-6-8-14/h2-4,9,13H,5-8H2,1H3
(3)InChIKey: SYCUTYNFOZSYJF-UHFFFAOYAR

Product Name

Methyl 3-(1-piperazinyl)benzoate

Methyl 3-piperazin-1-ylbenzoate Specification

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