Home Amines 1134541-61-9
1134541-61-9,MFCD20411317
Catalog No.:AA0008KD
1134541-61-9 | Benzenemethanamine, 4-amino-2-fluoro-N,N-dimethyl-
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250mg
95.0%
3 weeks  
$500.00   $350.00
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Technical Information
Catalog Number:
AA0008KD
Chemical Name:
Benzenemethanamine, 4-amino-2-fluoro-N,N-dimethyl-
CAS Number:
1134541-61-9
Molecular Formula:
C9H13FN2
Molecular Weight:
168.2113
MDL Number:
MFCD20411317
IUPAC Name:
4-[(dimethylamino)methyl]-3-fluoroaniline
InChI:
InChI=1S/C9H13FN2/c1-12(2)6-7-3-4-8(11)5-9(7)10/h3-5H,6,11H2,1-2H3
InChI Key:
NREHYFFERQGKGJ-UHFFFAOYSA-N
SMILES:
CN(Cc1ccc(cc1F)N)C
Properties
Computed Properties
 
Complexity:
139  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.106g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
168.215g/mol
Monoisotopic Mass:
168.106g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

Synonyms
 
1134541-61-9 
4-((Dimethylamino)methyl)-3-fluoroaniline 
4-[(dimethylamino)methyl]-3-fluoroaniline 
SCHEMBL13159521 
ZINC72266657 
AKOS014097376 
MCULE-4142008274 
NE48681 
Benzenemethanamine, 4-amino-2-fluoro-N,N-dimethyl- 
Z1333717728 
Literature
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