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39086-68-5,MFCD07847873
Catalog No.:AA00C6NH
39086-68-5 | 1-(CHLOROACETYL)DECAHYDROQUINOLINE
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95.0%
3 weeks  
$150.00
- +
500mg
95.0%
3 weeks  
$256.00
- +
1g
95.0%
3 weeks  
$356.00
- +
  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00C6NH
Chemical Name:
1-(CHLOROACETYL)DECAHYDROQUINOLINE
CAS Number:
39086-68-5
Molecular Formula:
C11H18ClNO
Molecular Weight:
215.7197
MDL Number:
MFCD07847873
IUPAC Name:
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-chloroethanone
InChI:
InChI=1S/C11H18ClNO/c12-8-11(14)13-7-3-5-9-4-1-2-6-10(9)13/h9-10H,1-8H2
InChI Key:
RDTNIAJMHHVOCO-UHFFFAOYSA-N
SMILES:
ClCC(=O)N1CCCC2C1CCCC2
Properties
Computed Properties
 
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.108g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.721g/mol
Monoisotopic Mass:
215.108g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

Synonyms
 
39086-68-5 
1-(chloroacetyl)decahydroquinoline 
EN300-22979 
2-Chloro-1-(octahydro-quinolin-1(2h)-yl)ethanone 
J-508587 
F8889-5343 
Z168883444 
2-Chloro-1-(decahydroquinolin-1-yl)ethan-1-one 
2-Chloro-1-(octahydroquinolin-1(2H)-yl)ethanone 
1-chloroacetyl-decahydro-quinoline 
AC1Q3TEJ 
SCHEMBL770256 
AKOS009075612 
MCULE-3386554763 
NE23206 
Literature
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