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Home > Encyclopedia > Ethanone, 2-chloro-1-(3-indolyl)-

Ethanone, 2-chloro-1-(3-indolyl)-

Ethanone, 2-chloro-1-(3-indolyl)- structure

Ethanone, 2-chloro-1-(3-indolyl)- 

structure
  • CAS No:

    28755-03-5

  • Formula:

    C10H8ClNO

  • Chemical Name:

    Ethanone, 2-chloro-1-(3-indolyl)-

  • Synonyms:

    Ethanone, 2-chloro-1-(3-indolyl)-;3-chloroacetylindole;2-chloro-1-(1H-indol-3-yl)ethanone(SALTDATA: FREE);2-Chloro-1-(1H-indol-3-yl)ethan-1-one, 3-(2-Chloroethanoyl)-1H-indole;3CAI;Chloromethyl indol-3-yl ketone;Ethanone, 2-chloro-1-(1H-indol-3-yl)-;Ethanone, 2-chloro-1H-indol-1-yl-

  • Categories:

    Chemical Reagents  >  Organic Reagents

Description

3CAI is a potent and specific AKT1 and AKT2 inhibitor.

Ethanone, 2-chloro-1-(3-indolyl)- Basic Attributes

193.63

193.02900

DTXSID80182939

2933990090

Characteristics

32.9

2.58940

yellow to brown

1.337g/cm3

212-214 °C(Solv: ethyl ether (60-29-7))

379.1ºC at 760 mmHg

183ºC

1.659

DMSO: soluble 5mg/mL, clear

-20°C

6.02E-06mmHg at 25°C

Safety Information

NONH for all modes of transport

3

22-36

26

Xn

P305 + P351 + P338

H302-H319

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

3-chloroacetylindole

Computed Properties

Molecular Weight:193.63
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:193.0294416
Monoisotopic Mass:193.0294416
Topological Polar Surface Area:32.9
Heavy Atom Count:13
Complexity:207
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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