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| CAS No.: | 875320-29-9 |
|---|---|
| Name: | JNJ-26481585 |
| Molecular Structure: | |
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| Formula: | C21H20N4 |
| Molecular Weight: | 328.41 |
| Synonyms: | N1-(2-(1h-indol-3-yl)ethyl)-n4-(pyridin-4-yl)benzene-1,4-diamine |
| Density: | 1.274 g/cm3 |
| Boiling Point: | 615.103 °C at 760 mmHg |
| Flash Point: | 325.803 °C |
| PSA: | 95.31000 |
| LogP: | 2.94030 |
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Specification
The JNJ-26481585 is an organic compound with the formula C21H20N4. The systematic name of this chemical is N-[2-(1H-indol-3-yl)ethyl]-N'-(pyridin-4-yl)benzene-1,4-diamine. With the CAS registry number 875320-29-9, it is also named as JNJ 26854165.
Physical properties about JNJ-26481585 are: (1)ACD/LogP: 3.03; (2)#H bond acceptors: 4; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 6; (5)Polar Surface Area: 52.74 Å2; (6)Index of Refraction: 1.747; (7)Molar Refractivity: 104.724 cm3; (8)Molar Volume: 257.801 cm3; (9)Polarizability: 41.516×10-24cm3; (10)Surface Tension: 63.948 dyne/cm; (11)Density: 1.274 g/cm3; (12)Flash Point: 325.803 °C; (13)Enthalpy of Vaporization: 91.259 kJ/mol; (14)Boiling Point: 615.103 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: n1ccc(cc1)Nc2ccc(cc2)NCCc4c3ccccc3nc4
(2)InChI: InChI=1/C21H20N4/c1-2-4-21-20(3-1)16(15-24-21)9-14-23-17-5-7-18(8-6-17)25-19-10-12-22-13-11-19/h1-8,10-13,15,23-24H,9,14H2,(H,22,25)
(3)InChIKey: CEGSUKYESLWKJP-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C21H20N4/c1-2-4-21-20(3-1)16(15-24-21)9-14-23-17-5-7-18(8-6-17)25-19-10-12-22-13-11-19/h1-8,10-13,15,23-24H,9,14H2,(H,22,25)
(5)Std. InChIKey: CEGSUKYESLWKJP-UHFFFAOYSA-N