Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-[(4-Methyl-1-piperazinyl)carbonyl]aniline |
EINECS | N/A |
CAS No. | 55121-99-8 | Density | 1.167g/cm3 |
PSA | 49.57000 | LogP | 1.11340 |
Solubility | N/A | Melting Point |
140 °C |
Formula | C12H17N3O | Boiling Point | 407 °C at 760 mmHg |
Molecular Weight | 219.286 | Flash Point | 200 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(4-Aminophenyl)(4-methylpiperazin-1-yl)methanone; 1-(4-Aminobenzoyl)-4-methylpiperazine; NSC 27588 |
Article Data | 20 |
The 4-[(4-Methyl-1-piperazinyl)carbonyl]aniline is an organic compound with the formula C12H17N3O. The IUPAC name of this chemical is (4-aminophenyl)-(4-methylpiperazin-1-yl)methanone. With the CAS registry number 55121-99-8, it is also named as methanone, (4-aminophenyl)(4-methyl-1-piperazinyl)-.
Physical properties about 4-[(4-Methyl-1-piperazinyl)carbonyl]aniline are: (1)ACD/LogP: -0.41; (2)#H bond acceptors: 4; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 26.79 Å2; (6)Index of Refraction: 1.598; (7)Molar Refractivity: 64.16 cm3; (8)Molar Volume: 187.8 cm3; (9)Polarizability: 25.43×10-24cm3; (10)Surface Tension: 50.2 dyne/cm; (11)Density: 1.167 g/cm3; (12)Flash Point: 200 °C; (13)Enthalpy of Vaporization: 65.88 kJ/mol; (14)Boiling Point: 407 °C at 760 mmHg; (15)Vapour Pressure: 7.78E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N1CCN(C)CC1)c2ccc(N)cc2
(2)InChI: InChI=1/C12H17N3O/c1-14-6-8-15(9-7-14)12(16)10-2-4-11(13)5-3-10/h2-5H,6-9,13H2,1H3
(3)InChIKey: WTBSUAXLZLAHPE-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C12H17N3O/c1-14-6-8-15(9-7-14)12(16)10-2-4-11(13)5-3-10/h2-5H,6-9,13H2,1H3
(5)Std. InChIKey: WTBSUAXLZLAHPE-UHFFFAOYSA-N