Benzoicacid, 4-(1-piperazinyl)-, methyl ester supplier

Name
METHYL 4-(PIPERAZIN-1-YL)BENZOATE
EINECS
CAS No. 163210-97-7
Article Data15
CAS DataBase
Density 1.126 g/cm³
Solubility
Melting Point 104-105 °C
Formula C₁₂H₁₆N₂O₂
Boiling Point 377.057 °C at 760 mmHg
Molecular Weight 220.271
Flash Point 181.838 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(4-Methoxycarbonylphenyl)piperazine;4-(Piperazin-1-yl)benzoic acid methyl ester;Methyl 4-(1-piperazinyl)benzoate;Methyl 4-piperazinobenzoate;
PSA 41.57000
LogP 1.27660

Benzoicacid, 4-(1-piperazinyl)-, methyl ester Specification

The Benzoicacid, 4-(1-piperazinyl)-, methyl ester, with the CAS registry number 163210-97-7, is also known as 4-(Piperazin-1-yl)benzoic acid methyl ester. This chemical's molecular formula is C₁₂H₁₆N₂O₂ and molecular weight is 220.27. What's more, its systematic name is Methyl 4-(piperazin-1-yl)benzoate and it belongs to the product category of Pharmacetical.

Physical properties of Benzoicacid, 4-(1-piperazinyl)-, methyl ester are: (1)ACD/LogP: 0.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0; (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): 9; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 41.57 Å²; (12)Index of Refraction: 1.542; (13)Molar Refractivity: 61.579 cm³; (14)Molar Volume: 195.627 cm³; (15)Polarizability: 24.412×10^-24cm³; (16)Surface Tension: 40.281 dyne/cm; (17)Density: 1.126 g/cm³; (18)Flash Point: 181.838 °C; (19)Enthalpy of Vaporization: 62.478 kJ/mol; (20)Boiling Point: 377.057 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC(=O)C1=CC=C(C=C1)N2CCNCC2
(2)InChI: InChI=1S/C12H16N2O2/c1-16-12(15)10-2-4-11(5-3-10)14-8-6-13-7-9-14/h2-5,13H,6-9H2,1H3
(3)InChIKey: BFFGYMOQOGMTBM-UHFFFAOYSA-N

Product Name

METHYL 4-(PIPERAZIN-1-YL)BENZOATE

Benzoicacid, 4-(1-piperazinyl)-, methyl ester Specification

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