Home Other Building Blocks 1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethan-1-amine

1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethan-1-amine

CAS No.:
1019628-04-6
Catalog Number:
AG01A8MS
Molecular Formula:
C13H20FN3
Molecular Weight:
237.3164
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Product Description
Catalog Number:
AG01A8MS
Chemical Name:
1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethan-1-amine
CAS Number:
1019628-04-6
Molecular Formula:
C13H20FN3
Molecular Weight:
237.3164
MDL Number:
MFCD11137054
IUPAC Name:
1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethanamine
InChI:
InChI=1S/C13H20FN3/c1-10(15)12-9-11(14)3-4-13(12)17-7-5-16(2)6-8-17/h3-4,9-10H,5-8,15H2,1-2H3
InChI Key:
HLPGRTXQCLEWBN-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1ccc(cc1C(N)C)F
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.164g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
237.322g/mol
Monoisotopic Mass:
237.164g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
32.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties