CAS No.459168-41-3,JNJ7777120 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	459168-41-3
Name:	JNJ7777120

Formula:	C₁₄H₁₆ClN₃O
Molecular Weight:	277.75
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;
Density:	1.322 g/cm³
Boiling Point:	477 °C at 760 mmHg
Flash Point:	242.3 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	39.34000
LogP:	2.08470

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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