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123566-39-2 | 1,2-Ethanediamine, N1-[(3-fluorophenyl)methyl]-
CAS No: 123566-39-2 Catalog No: AG000KTK MDL No:MFCD04360486
Product Description
Catalog Number:
AG000KTK
Chemical Name:
1,2-Ethanediamine, N1-[(3-fluorophenyl)methyl]-
CAS Number:
123566-39-2
Molecular Formula:
C9H13FN2
Molecular Weight:
168.2113
MDL Number:
MFCD04360486
IUPAC Name:
N'-[(3-fluorophenyl)methyl]ethane-1,2-diamine
InChI:
InChI=1S/C9H13FN2/c10-9-3-1-2-8(6-9)7-12-5-4-11/h1-3,6,12H,4-5,7,11H2
InChI Key:
OPQMQZYIHOTTEL-UHFFFAOYSA-N
SMILES:
NCCNCc1cccc(c1)F
Properties
Complexity:
119
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:
0.8
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