Home Amines 2126159-52-0
2126159-52-0,MFCD31381229
Catalog No.:AA01EJG3
2126159-52-0 | 1-(3-trifluoromethanesulfonylphenyl)ethan-1-amine hydrochloride
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95.0%
3 weeks  
$764.00
- +
500mg
95.0%
3 weeks  
$1,188.00
- +
1g
95.0%
3 weeks  
$1,516.00
- +
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Technical Information
Catalog Number:
AA01EJG3
Chemical Name:
1-(3-trifluoromethanesulfonylphenyl)ethan-1-amine hydrochloride
CAS Number:
2126159-52-0
Molecular Formula:
C9H11ClF3NO2S
Molecular Weight:
289.7023
MDL Number:
MFCD31381229
IUPAC Name:
1-[3-(trifluoromethylsulfonyl)phenyl]ethanamine;hydrochloride
InChI:
InChI=1S/C9H10F3NO2S.ClH/c1-6(13)7-3-2-4-8(5-7)16(14,15)9(10,11)12;/h2-6H,13H2,1H3;1H
InChI Key:
FLFZNPXXZFSJLK-UHFFFAOYSA-N
SMILES:
CC(c1cccc(c1)S(=O)(=O)C(F)(F)F)N.Cl
Properties
Computed Properties
 
Complexity:
334  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.015g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
289.697g/mol
Monoisotopic Mass:
289.015g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0

Synonyms
 
1-(3-trifluoromethanesulfonylphenyl)ethan-1-amine hydrochloride 
2126159-52-0 
Literature
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