Basic Information | Post buying leads | Suppliers |
Name |
2-(4-Methylpiperazin-1-ylmethyl)benzoic acid |
EINECS | 604-604-1 |
CAS No. | 514209-40-6 | Density | 1.175 g/cm3 |
PSA | 43.78000 | LogP | 1.00800 |
Solubility | N/A | Melting Point |
N/A |
Formula | C13H18N2O2 | Boiling Point | 368.956 °C at 760 mmHg |
Molecular Weight | 234.29 | Flash Point | 176.939 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
benzoic acid, 2-[(4-methyl-1-piperazinyl)methyl]-; |
The 2-(4-Methylpiperazin-1-ylmethyl)benzoic acid with the CAS number 514209-40-6 is also called benzoic acid, 2-[(4-methyl-1-piperazinyl)methyl]-. Its molecular formula is C13H18N2O2. The product category is API intermediates. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 0.67; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 43.78 Å2; (11)Index of Refraction: 1.58; (12)Molar Refractivity: 66.384 cm3; (13)Molar Volume: 199.402 cm3; (14)Polarizability: 26.317×10-24cm3; (15)Surface Tension: 49.031 dyne/cm; (16)Enthalpy of Vaporization: 64.955 kJ/mol; (17)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CN1CCN(CC1)Cc2ccccc2C(=O)O
(2)InChI: InChI=1/C13H18N2O2/c1-14-6-8-15(9-7-14)10-11-4-2-3-5-12(11)13(16)17/h2-5H,6-10H2,1H3,(H,16,17)
(3)InChIKey: QFGAZCPGMRUCDN-UHFFFAOYAT