Home Other Building Blocks [4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methanamine

[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methanamine

CAS No.:
1039892-84-6
Catalog Number:
AG01ABHF
Molecular Formula:
C13H20FN3
Molecular Weight:
237.3164
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Product Description
Catalog Number:
AG01ABHF
Chemical Name:
[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methanamine
CAS Number:
1039892-84-6
Molecular Formula:
C13H20FN3
Molecular Weight:
237.3164
MDL Number:
MFCD11191697
IUPAC Name:
[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methanamine
InChI:
InChI=1S/C13H20FN3/c1-2-16-5-7-17(8-6-16)13-4-3-11(10-15)9-12(13)14/h3-4,9H,2,5-8,10,15H2,1H3
InChI Key:
ONYJFOAYHDGOFX-UHFFFAOYSA-N
SMILES:
CCN1CCN(CC1)c1ccc(cc1F)CN
Properties
Complexity:
229  
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:
3  
Topological Polar Surface Area:
32.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties