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139705-56-9 | 1,3,5-Hexatriene-1,6-diamine, 1,6-diphenyl-, (1Z,3E,5Z)-
CAS No: 139705-56-9 Catalog No: AG001BJ3 MDL No:
Product Description
Catalog Number:
AG001BJ3
Chemical Name:
1,3,5-Hexatriene-1,6-diamine, 1,6-diphenyl-, (1Z,3E,5Z)-
CAS Number:
139705-56-9
Molecular Formula:
C18H18N2
Molecular Weight:
262.3489
IUPAC Name:
1,6-diphenylhexa-1,3,5-triene-1,6-diamine
InChI:
InChI=1S/C18H18N2/c19-17(15-9-3-1-4-10-15)13-7-8-14-18(20)16-11-5-2-6-12-16/h1-14H,19-20H2
InChI Key:
UEODDAMNYHYLFS-UHFFFAOYSA-N
SMILES:
N/C(=C\C=C\C=C(\c1ccccc1)/N)/c1ccccc1
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.147g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.356g/mol
Monoisotopic Mass:
262.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
3.7
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