Home Nitriles 4-(1-aminoethyl)-3-fluorobenzonitrile

4-(1-aminoethyl)-3-fluorobenzonitrile

CAS No.:
1270331-36-6
Catalog Number:
AG01A6TZ
Molecular Formula:
C9H9FN2
Molecular Weight:
164.1796
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Product Description
Catalog Number:
AG01A6TZ
Chemical Name:
4-(1-aminoethyl)-3-fluorobenzonitrile
CAS Number:
1270331-36-6
Molecular Formula:
C9H9FN2
Molecular Weight:
164.1796
MDL Number:
MFCD18706304
IUPAC Name:
4-(1-aminoethyl)-3-fluorobenzonitrile
InChI:
InChI=1S/C9H9FN2/c1-6(12)8-3-2-7(5-11)4-9(8)10/h2-4,6H,12H2,1H3
InChI Key:
YNSAMDYSPOHAQE-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)F)C(N)C
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.075g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
164.183g/mol
Monoisotopic Mass:
164.075g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties