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2070-85-1 | 1,2-Ethanediamine, N1-[(4-fluorophenyl)methyl]-
CAS No: 2070-85-1 Catalog No: AG002IU3 MDL No:MFCD04355112
Product Description
Catalog Number:
AG002IU3
Chemical Name:
1,2-Ethanediamine, N1-[(4-fluorophenyl)methyl]-
CAS Number:
2070-85-1
Molecular Formula:
C9H13FN2
Molecular Weight:
168.2113
MDL Number:
MFCD04355112
IUPAC Name:
N'-[(4-fluorophenyl)methyl]ethane-1,2-diamine
InChI:
InChI=1S/C9H13FN2/c10-9-3-1-8(2-4-9)7-12-6-5-11/h1-4,12H,5-7,11H2
InChI Key:
LTXQTRFSFVWMJB-UHFFFAOYSA-N
SMILES:
NCCNCc1ccc(cc1)F
Properties
Complexity:
111
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:
2
Isotope Atom Count:
0
Molecular Weight:
168.215g/mol
Monoisotopic Mass:
168.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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