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1318762-87-6 | 1,2-Cyclohexanediamine, N1,N2-bis[(4-fluorophenyl)methyl]-
CAS No: 1318762-87-6 Catalog No: AG000ZUJ MDL No:MFCD21098652
Product Description
Catalog Number:
AG000ZUJ
Chemical Name:
1,2-Cyclohexanediamine, N1,N2-bis[(4-fluorophenyl)methyl]-
CAS Number:
1318762-87-6
Molecular Formula:
C20H24F2N2
Molecular Weight:
330.4148
MDL Number:
MFCD21098652
IUPAC Name:
1-N,2-N-bis[(4-fluorophenyl)methyl]cyclohexane-1,2-diamine
InChI:
InChI=1S/C20H24F2N2/c21-17-9-5-15(6-10-17)13-23-19-3-1-2-4-20(19)24-14-16-7-11-18(22)12-8-16/h5-12,19-20,23-24H,1-4,13-14H2
InChI Key:
QTUZDQRFYDFJHL-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)CNC1CCCCC1NCc1ccc(cc1)F
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.191g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
330.423g/mol
Monoisotopic Mass:
330.191g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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