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Name |
4-(2-Methylphenyl)-1-piperazineethanamine |
EINECS | N/A |
CAS No. | 58334-09-1 | Density | 1.042 g/cm3 |
PSA | 32.50000 | LogP | 1.77890 |
Solubility | N/A | Melting Point |
N/A |
Formula | C13H21N3 | Boiling Point | 1.042 g/cm3 |
Molecular Weight | 219.33 | Flash Point | 163 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Piperazine, 1-(2-aminoethyl)-4-o-tolyl- (7CI); |
Article Data | 4 |
The 4-(2-Methylphenyl)-1-piperazineethanamine, its cas register number is 58334-09-1. It also can be called as 2-(4-o-Tolyl-piperazin-1-yl)ethylamine and the Systematic name about this chemical is 2-[4-(2-methylphenyl)piperazin-1-yl]ethanamine.
Physical properties about 4-(2-Methylphenyl)-1-piperazineethanamine are: (1)ACD/LogP: 1.58; (2)ACD/LogD (pH 5.5): -2.17; (3)ACD/LogD (pH 7.4): -0.72; (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): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 9.72Å2; (12)Index of Refraction: 1.557; (13)Molar Refractivity: 67.71 cm3; (14)Molar Volume: 210.2 cm3; (15)Polarizability: 26.84x10-24cm3; (16)Surface Tension: 41.9 dyne/cm; (17)Enthalpy of Vaporization: 59.45 kJ/mol; (18)Vapour Pressure: 4.55E-05 mmHg at 25°C
You can still convert the following datas into molecular structure:
(1)SMILES: NCCN2CCN(c1ccccc1C)CC2
(2)InChI: InChI=1/C13H21N3/c1-12-4-2-3-5-13(12)16-10-8-15(7-6-14)9-11-16/h2-5H,6-11,14H2,1H3
(3)InChIKey: LBPUXJVDEJKNGK-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C13H21N3/c1-12-4-2-3-5-13(12)16-10-8-15(7-6-14)9-11-16/h2-5H,6-11,14H2,1H3
(5)Std. InChIKey: LBPUXJVDEJKNGK-UHFFFAOYSA-N