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JNJ 7777120

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Name

JNJ 7777120

EINECS N/A
CAS No. 459168-41-3 Density 1.322 g/cm3
PSA 39.34000 LogP 2.08470
Solubility N/A Melting Point N/A
Formula C14H16ClN3O Boiling Point 477 °C at 760 mmHg
Molecular Weight 277.75 Flash Point 242.3 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 459168-41-3 (JNJ7777120) Hazard Symbols IrritantXi
Synonyms

Piperazine,1-[(5-chloro-1H-indol-2-yl)carbonyl]-4-methyl- (9CI);(5-Chloro-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone;1-((5-Chloro-1H-indol-2-yl)carbonyl)-4-methylpiperazine;

 

JNJ 7777120 Specification

The CAS registry number of Methanone,(5-chloro-1H-indol-2-yl)(4-methyl-1-piperazinyl)- is 459168-41-3. The IUPAC name systematic name is (5-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone. In addition, the molecular formula is C14H16ClN3O and the molecular weight is 277.75. What's more, it is a kind of white solid and should be stored in a cool and dry place.

Physical properties about Methanone,(5-chloro-1H-indol-2-yl)(4-methyl-1-piperazinyl)- are: (1)ACD/LogP: 1.06; (2)#H bond acceptors: 4; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 28.48 Å2; (6)Index of Refraction: 1.655; (7)Molar Refractivity: 77.1 cm3; (8)Molar Volume: 209.9 cm3; (9)Polarizability: 30.56 ×10-24cm3; (10)Surface Tension: 56.5 dyne/cm; (11)Density: 1.322 g/cm3; (12)Flash Point: 242.3 °C; (13)Enthalpy of Vaporization: 74.09 kJ/mol; (14)Boiling Point: 477 °C at 760 mmHg; (15)Vapour Pressure: 2.9E-09 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N1CCN(C)CC1)c3cc2cc(Cl)ccc2n3
(2)InChI: InChI=1/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3
(3)InChIKey: HUQJRYMLJBBEDO-UHFFFAOYAR

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