Home Amines 1000878-48-7
1000878-48-7,MFCD12757994
Catalog No.:AA0000S5
Benzenemethanamine, 2-chloro-6-fluoro-α-methyl-, hydrochloride (1:1), (αS)- | 1000878-48-7
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100mg
1 week  
$86.00
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250mg
1 week  
$130.00
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1g
96%
1 week  
$407.00
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  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA0000S5
Chemical Name:
Benzenemethanamine, 2-chloro-6-fluoro-α-methyl-, hydrochloride (1:1), (αS)-
CAS Number:
1000878-48-7
Molecular Formula:
C8H10Cl2FN
Molecular Weight:
210.0761
MDL Number:
MFCD12757994
IUPAC Name:
(1S)-1-(2-chloro-6-fluorophenyl)ethanamine;hydrochloride
InChI:
InChI=1S/C8H9ClFN.ClH/c1-5(11)8-6(9)3-2-4-7(8)10;/h2-5H,11H2,1H3;1H/t5-;/m0./s1
InChI Key:
PUBRSCIMJQYMNY-JEDNCBNOSA-N
SMILES:
C[C@@H](c1c(F)cccc1Cl)N.Cl
Properties
Computed Properties
 
Complexity:
131  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
209.017g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
210.073g/mol
Monoisotopic Mass:
209.017g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
1000878-48-7 
(S)-1-(2-Chloro-6-fluorophenyl)ethanamine hydrochloride 
DS-4744 
AX8255638 
(1S)-1-(2-chloro-6-fluorophenyl)ethanamine,hydrochloride 
(S)-1-(2-chloro-6-fluorophenyl)ethan-1-amine hydrochloride 
(1S)-1-(2-Chloro-6-fluorophenyl)ethan-1-amine--hydrogen chloride (1/1) 
Benzenemethanamine, 2-chloro-6-fluoro-alpha-methyl-, hydrochloride (1:1), (alphaS)- 
PUBRSCIMJQYMNY-JEDNCBNOSA-N 
ACN-055264 
(S)-1-(2-CHLORO-6-FLUOROPHENYL)ETHANAMINE-HCl 
(S)-1-(2-Chloro-6-fluorophenyl)ethanaminehydrochloride 
(S)-1-(2-CHLORO-6-FLUOROPHENYL)ETHANAMINE HCl 
AK134087 
SCHEMBL20238704 
KS-00000RJT 
DTXSID30704246 
MFCD06761973 
MFCD12757994 
AKOS015923250 
Literature
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