4-(4-Methylpiperazino)benzoic acid

The Structure of 4-(4-Methylpiperazino)benzoic acid (CAS NO.86620-62-4):

IUPAC Name: 4-(4-Methylpiperazin-4-ium-1-yl)benzoate 
Molecular Weight: 220.26764 g/mol
Molecular Formula: C₁₂H₁₆N₂O₂ 
Density: 1.188 g/cm³ 
Melting Point: 270 °C
Boiling Point: 393.9 °C at 760 mmHg 
Flash Point: 192.1 °C
Index of Refraction: 1.579
Molar Refractivity: 61.66 cm³
Molar Volume: 185.2 cm³
Surface Tension: 47.9 dyne/cm 
Enthalpy of Vaporization: 67.91 kJ/mol
Vapour Pressure: 6.51E-07 mmHg at 25 °C
XLogP3-AA: -0.2
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 1
Exact Mass: 220.121178
MonoIsotopic Mass: 220.121178
Topological Polar Surface Area: 47.8
Heavy Atom Count: 16
Canonical SMILES: C[NH+]1CCN(CC1)C2=CC=C(C=C2)C(=O)[O-]
InChI: InChI=1S/C12H16N2O2/c1-13-6-8-14(9-7-13)11-4-2-10(3-5-11)12(15)16/h2-5H,6-9H2,1H3,(H,15,16)
InChIKey: UCFZVQHKTRSZMM-UHFFFAOYSA-N
Product Categories of 4-(4-Methylpiperazino)benzoic acid(CAS NO.86620-62-4): Piperazidine intermediates; Piperazines; Carboxylic Acids; Phenyls & Phenyl-Het; Carboxylic Acids; Phenyls & Phenyl-Het; API intermediates

Hazard Codes: Xi
Risk Statements: 36/37/38
36/37/38:  Irritating to eyes, respiratory system and skin  
Safety Statements: 26-37/39
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 
37/39:  Wear suitable gloves and eye/face protection 
Hazard Note: Irritant

 4-(4-Methylpiperazino)benzoic acid (CAS NO.86620-62-4) is also named as benzoic acid, 4-(4-methyl-1-piperazinyl)- ; 4-(4-methyl-1-piperazinyl)benzoic acid ; 4-(4-Methyl-piperazin-1-yl)-benzoic acid ; 4-(4-Methylpiperazin-1-yl)benzoic acid, 97% ; 4-(4-Methylpiperazino)benzaldehyde .